3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one

C111H118N36O11S2 — CID 157229215

IUPAC3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one
SMILESCC(C)C1=NS(=O)(=O)c2cc3c(N)noc3cc2N1.CC(C)c1nc2cc3o[nH]c(N)c3cc2n1.CC(C)c1nc2ccc(-c3ccn[nH]3)cc2c(=O)[nH]1.CC(C)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nccc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)noc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c(=O)c2c1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/3C14H14N4O.C12H12N4O2.C12H12N4OS.C12H14N4O.C11H12N4O3S.C11H12N4O.C11H14N4/c1-8(2)13-17-12-4-3-9(10-6-15-16-7-10)5-11(12)14(19)18-13;1-8(2)13-16-12-4-3-9(11-5-6-15-18-11)7-10(12)14(19)17-13;1-7(2)13-17-10-4-3-9-8(5-6-16-12(9)15)11(10)14(19)18-13;2*1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11;1-6(2)11-15-9-4-3-7(10(13)14)5-8(9)12(17)16-11;1-5(2)11-13-7-4-8-6(10(12)14-18-8)3-9(7)19(16,17)15-11;1-5(2)11-13-7-3-6-9(4-8(7)14-11)16-15-10(6)12;1-6(2)11-14-8-4-3-7(10(12)13)5-9(8)15-11/h3-8H,1-2H3,(H,15,16)(H,17,18,19);3-8H,1-2H3,(H,15,18)(H,16,17,19);3-7H,1-2H3,(H2,15,16)(H,17,18,19);2*3-5H,1-2H3,(H2,13,16)(H,14,15,17);3-6H,1-2H3,(H3,13,14)(H,15,16,17);3-5H,1-2H3,(H2,12,14)(H,13,15);3-5,15H,12H2,1-2H3;3-6H,1-2H3,(H3,12,13)(H,14,15)
InChIKeyYNROVVGGVOUHPT-UHFFFAOYSA-N
MW2196.54 g/mol
LogP18.35
Rot. Bonds13

About 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one

3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one (PubChem CID 157229215) has the molecular formula C111H118N36O11S2 and a molecular weight of 2196.54 g/mol. Its IUPAC name is 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one
PubChem CID157229215
Molecular FormulaC111H118N36O11S2
Molecular Weight2196.54 g/mol
Exact Mass2194.92
IUPAC Name3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one
SMILESCC(C)C1=NS(=O)(=O)c2cc3c(N)noc3cc2N1.CC(C)c1nc2cc3o[nH]c(N)c3cc2n1.CC(C)c1nc2ccc(-c3ccn[nH]3)cc2c(=O)[nH]1.CC(C)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nccc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)noc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c(=O)c2c1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/3C14H14N4O.C12H12N4O2.C12H12N4OS.C12H14N4O.C11H12N4O3S.C11H12N4O.C11H14N4/c1-8(2)13-17-12-4-3-9(10-6-15-16-7-10)5-11(12)14(19)18-13;1-8(2)13-16-12-4-3-9(11-5-6-15-18-11)7-10(12)14(19)17-13;1-7(2)13-17-10-4-3-9-8(5-6-16-12(9)15)11(10)14(19)18-13;2*1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11;1-6(2)11-15-9-4-3-7(10(13)14)5-8(9)12(17)16-11;1-5(2)11-13-7-4-8-6(10(12)14-18-8)3-9(7)19(16,17)15-11;1-5(2)11-13-7-3-6-9(4-8(7)14-11)16-15-10(6)12;1-6(2)11-14-8-4-3-7(10(12)13)5-9(8)15-11/h3-8H,1-2H3,(H,15,16)(H,17,18,19);3-8H,1-2H3,(H,15,18)(H,16,17,19);3-7H,1-2H3,(H2,15,16)(H,17,18,19);2*3-5H,1-2H3,(H2,13,16)(H,14,15,17);3-6H,1-2H3,(H3,13,14)(H,15,16,17);3-5H,1-2H3,(H2,12,14)(H,13,15);3-5,15H,12H2,1-2H3;3-6H,1-2H3,(H3,12,13)(H,14,15)
InChIKeyYNROVVGGVOUHPT-UHFFFAOYSA-N
XLogP18.35
TPSA781.46 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds13
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.54
LogP ≤ 518.35
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-quinolin-2-one;4-[2-cyclopropyl-7-(1-hydroxy-6-methylquinolin-5-ylidene)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-1-methyl-7-(6-methyl-1-oxidoquinolin-1-ium-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158818296
5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
CID 157461501
6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;(7-methylnaphthalen-2-yl)methanamine
CID 157483946
3,5-dimethyl-4-(2-methyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(1-phenylethenyl)-1H-benzimidazol-2-amine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(1-phenylethyl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158246325
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158302120
6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 158475534
5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158515613
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline
CID 158704959

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one (CID 157229215) is 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one is CC(C)C1=NS(=O)(=O)c2cc3c(N)noc3cc2N1.CC(C)c1nc2cc3o[nH]c(N)c3cc2n1.CC(C)c1nc2ccc(-c3ccn[nH]3)cc2c(=O)[nH]1.CC(C)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nccc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)noc3c2c(=O)[nH]1.CC(C)c1nc2ccc3c(N)nsc3c2c(=O)[nH]1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c(=O)c2c1.[H]/N=C(\N)c1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one?
The InChIKey is YNROVVGGVOUHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H14N4O.C12H12N4O2.C12H12N4OS.C12H14N4O.C11H12N4O3S.C11H12N4O.C11H14N4/c1-8(2)13-17-12-4-3-9(10-6-15-16-7-10)5-11(12)14(19)18-13;1-8(2)13-16-12-4-3-9(11-5-6-15-18-11)7-10(12)14(19)17-13;1-7(2)13-17-10-4-3-9-8(5-6-16-12(9)15)11(10)14(19)18-13;2*1-5(2)11-14-7-4-3-6-9(18-16-10(6)13)8(7)12(17)15-11;1-6(2)11-15-9-4-3-7(10(13)14)5-8(9)12(17)16-11;1-5(2)11-13-7-4-8-6(10(12)14-18-8)3-9(7)19(16,17)15-11;1-5(2)11-13-7-3-6-9(4-8(7)14-11)16-15-10(6)12;1-6(2)11-14-8-4-3-7(10(12)13)5-9(8)15-11/h3-8H,1-2H3,(H,15,16)(H,17,18,19);3-8H,1-2H3,(H,15,18)(H,16,17,19);3-7H,1-2H3,(H2,15,16)(H,17,18,19);2*3-5H,1-2H3,(H2,13,16)(H,14,15,17);3-6H,1-2H3,(H3,13,14)(H,15,16,17);3-5H,1-2H3,(H2,12,14)(H,13,15);3-5,15H,12H2,1-2H3;3-6H,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one?
3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one has a molecular weight of 2196.54 g/mol, XLogP of 18.35, 13 rotatable bonds, 20 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 157229215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).