5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine

C73H78N20O — CID 158623514

IUPAC5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine
SMILESCc1ccc(/C(N)=C\N)cc1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2n1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1
InChIInChI=1S/C10H11N3.2C10H10N2.2C9H9N3.C9H12N2.C8H9N3.C8H8N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(12-6)4-5-11-9(7)10;1-7-2-4-8(5-3-7)9(11)6-10;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-5H,1H3,(H4,11,12,13);2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,11);2-6H,10-11H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10)/b;;;;;9-6+;;
InChIKeyHYHIEHBJLXLRSZ-DAJXFKGKSA-N
MW1251.57 g/mol
LogP13.38
Rot. Bonds1

About 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine

5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine (PubChem CID 158623514) has the molecular formula C73H78N20O and a molecular weight of 1251.57 g/mol. Its IUPAC name is 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine.

Molecular Properties

Compound Name5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine
PubChem CID158623514
Molecular FormulaC73H78N20O
Molecular Weight1251.57 g/mol
Exact Mass1250.67
IUPAC Name5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine
SMILESCc1ccc(/C(N)=C\N)cc1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2n1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1
InChIInChI=1S/C10H11N3.2C10H10N2.2C9H9N3.C9H12N2.C8H9N3.C8H8N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(12-6)4-5-11-9(7)10;1-7-2-4-8(5-3-7)9(11)6-10;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-5H,1H3,(H4,11,12,13);2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,11);2-6H,10-11H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10)/b;;;;;9-6+;;
InChIKeyHYHIEHBJLXLRSZ-DAJXFKGKSA-N
XLogP13.38
TPSA405.14 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001251.57
LogP ≤ 513.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine with MolForge

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Related Compounds

3-[[7-(2-cinnolin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-N,N-dimethylaniline;6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-quinazolin-7-ylethynyl)-1,2-benzoxazole;6-methyl-7-(2-phthalazin-6-ylethynyl)-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 160317613
3-[5-(3,4-dihydro-2H-quinolin-1-yl)-4-isoquinolin-1-yl-6-quinolin-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinazolin-7-yl]-1,2-benzoxazole
CID 141050938
3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
CID 157093777
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
CID 157252243
benzene;1,2-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;isoquinoline;1,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyridine;quinazoline;quinoline
CID 157566423
(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
CID 157568837
3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157640980
4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
CID 157757404
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157802222
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157997250

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine?
The IUPAC name of 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine (CID 158623514) is 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine.
What is the SMILES notation for 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine?
The canonical SMILES for 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine is Cc1ccc(/C(N)=C\N)cc1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2n1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.
What is the InChIKey of 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine?
The InChIKey is HYHIEHBJLXLRSZ-DAJXFKGKSA-N. The full InChI is InChI=1S/C10H11N3.2C10H10N2.2C9H9N3.C9H12N2.C8H9N3.C8H8N2O/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(12-6)4-5-11-9(7)10;1-7-2-4-8(5-3-7)9(11)6-10;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-5H,1H3,(H4,11,12,13);2*2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,11);2-6H,10-11H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10)/b;;;;;9-6+;;.
What are the key properties of 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine?
5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine has a molecular weight of 1251.57 g/mol, XLogP of 13.38, 1 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;6-methylisoquinoline-1,3-diamine;2-methyl-1,6-naphthyridin-5-amine;(E)-1-(4-methylphenyl)ethene-1,2-diamine;6-methylquinazolin-4-amine;7-methylquinolin-2-amine is sourced from PubChem (CID 158623514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).