2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine

C63H84ClN15O14S2 — CID 165007371

IUPAC2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCCC#N.CCc1nc(Cl)c2ccc(OC)cc2n1.CCc1nc(N2CC(CCNS(N)(=O)=O)C2)c2ccc(OC)cc2n1.CCc1nc2cc(OC)ccc2c(=O)[nH]1.COC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C16H23N5O3S.C11H11ClN2O.C11H12N2O2.C9H11NO3.C8H9NO3.C5H13N3O2S.C3H5N/c1-3-15-19-14-8-12(24-2)4-5-13(14)16(20-15)21-9-11(10-21)6-7-18-25(17,22)23;1-3-10-13-9-6-7(15-2)4-5-8(9)11(12)14-10;1-3-10-12-9-6-7(15-2)4-5-8(9)11(14)13-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5;1-2-3-4/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23);4-6H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13,14);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);2H2,1H3
InChIKeyJDZJWNXXFGASEG-UHFFFAOYSA-N
MW1375.04 g/mol
LogP6.52
Rot. Bonds19

About 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine

2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165007371) has the molecular formula C63H84ClN15O14S2 and a molecular weight of 1375.04 g/mol. Its IUPAC name is 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

Compound Name2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
PubChem CID165007371
Molecular FormulaC63H84ClN15O14S2
Molecular Weight1375.04 g/mol
Exact Mass1373.55
IUPAC Name2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
SMILESCCC#N.CCc1nc(Cl)c2ccc(OC)cc2n1.CCc1nc(N2CC(CCNS(N)(=O)=O)C2)c2ccc(OC)cc2n1.CCc1nc2cc(OC)ccc2c(=O)[nH]1.COC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C16H23N5O3S.C11H11ClN2O.C11H12N2O2.C9H11NO3.C8H9NO3.C5H13N3O2S.C3H5N/c1-3-15-19-14-8-12(24-2)4-5-13(14)16(20-15)21-9-11(10-21)6-7-18-25(17,22)23;1-3-10-13-9-6-7(15-2)4-5-8(9)11(12)14-10;1-3-10-12-9-6-7(15-2)4-5-8(9)11(14)13-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5;1-2-3-4/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23);4-6H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13,14);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);2H2,1H3
InChIKeyJDZJWNXXFGASEG-UHFFFAOYSA-N
XLogP6.52
TPSA442.54 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.04
LogP ≤ 56.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine with MolForge

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Related Compounds

bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride
CID 159672302
bis(acetonitrile);4-chloro-2-methylquinazoline;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride
CID 160936591
2-amino-4,5-dimethoxybenzamide;2-amino-4,5-dimethoxybenzoic acid;2-benzamido-4,5-dimethoxybenzamide;4-chloro-6,7-dimethoxy-2-phenylquinazoline;6,7-dimethoxy-2-phenyl-3H-quinazolin-4-one;6,7-dimethoxy-2-phenyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;4-[2-(sulfamoylamino)ethyl]piperidine
CID 161386998
2-amino-4,5-dimethoxybenzamide;2-amino-4,5-dimethoxybenzoic acid;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-4-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-4-ylquinazoline;6,7-dimethoxy-2-pyridin-4-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-4-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine
CID 162035795
2-amino-4-methoxybenzoic acid;4-chloro-2-cyclopropyl-7-methylquinazoline;cyclopropanecarbonitrile;2-cyclopropyl-7-methyl-3H-quinazolin-4-one;2-cyclopropyl-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164954338
2-amino-3,4-dimethoxybenzoic acid;4-chloro-7,8-dimethoxyquinazoline;7,8-dimethoxy-3H-quinazolin-4-one;7,8-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164967098
6-amino-1,3-benzodioxole-5-carboxylic acid;8-chloro-[1,3]dioxolo[4,5-g]quinazoline;7H-[1,3]dioxolo[4,5-g]quinazolin-8-one;methane;3-[2-(sulfamoylamino)ethyl]azetidine;8-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-[1,3]dioxolo[4,5-g]quinazoline
CID 164989780
adamantane-1-carbonitrile;2-(1-adamantyl)-4-chloro-7-methylquinazoline;2-(1-adamantyl)-7-methyl-3H-quinazolin-4-one;2-(1-adamantyl)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-amino-4-methylbenzoic acid;methyl 2-amino-4-methylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165005598
4-chloro-2-ethyl-6,7-dimethoxyquinazoline;2-ethyl-6,7-dimethoxy-3H-quinazolin-4-one;2-ethyl-6,7-dimethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165068485
benzonitrile;4-chloro-7-methyl-2-phenylquinazoline;2-(4-fluorophenyl)-7-methyl-3H-quinazolin-4-one;methyl 2-amino-4-methoxybenzoate;7-methyl-2-phenyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165076075
4-chloro-2-(difluoromethyl)-7-methoxy-6-methylquinazoline;2,2-difluoroacetonitrile;2-(difluoromethyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;2-(difluoromethyl)-7-methoxy-6-methyl-3H-quinazolin-4-one;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165080133
2-amino-5-bromo-4-methoxybenzoic acid;2-amino-4-methoxybenzoic acid;6-bromo-4-chloro-7-methylquinazoline;6-bromo-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;6-bromo-7-methyl-3H-quinazolin-4-one;3-[2-(sulfamoylamino)ethyl]azetidine
CID 165105175

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The IUPAC name of 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine (CID 165007371) is 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine.
What is the SMILES notation for 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The canonical SMILES for 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine is CCC#N.CCc1nc(Cl)c2ccc(OC)cc2n1.CCc1nc(N2CC(CCNS(N)(=O)=O)C2)c2ccc(OC)cc2n1.CCc1nc2cc(OC)ccc2c(=O)[nH]1.COC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
The InChIKey is JDZJWNXXFGASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S.C11H11ClN2O.C11H12N2O2.C9H11NO3.C8H9NO3.C5H13N3O2S.C3H5N/c1-3-15-19-14-8-12(24-2)4-5-13(14)16(20-15)21-9-11(10-21)6-7-18-25(17,22)23;1-3-10-13-9-6-7(15-2)4-5-8(9)11(12)14-10;1-3-10-12-9-6-7(15-2)4-5-8(9)11(14)13-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;1-12-5-2-3-6(8(10)11)7(9)4-5;6-11(9,10)8-2-1-5-3-7-4-5;1-2-3-4/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23);4-6H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13,14);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);2H2,1H3.
What are the key properties of 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine?
2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1375.04 g/mol, XLogP of 6.52, 19 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxybenzoic acid;4-chloro-2-ethyl-7-methoxyquinazoline;2-ethyl-7-methoxy-3H-quinazolin-4-one;2-ethyl-7-methoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4-methoxybenzoate;propanenitrile;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165007371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).