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

C67H84ClN15O11S2 — CID 164954338

IUPAC2-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
SMILESCOC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.Cc1ccc2c(=O)[nH]c(C3CC3)nc2c1.Cc1ccc2c(Cl)nc(C3CC3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(C3CC3)nc2c1.N#CC1CC1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C17H23N5O2S.C12H11ClN2.C12H12N2O.C9H11NO3.C8H9NO3.C5H13N3O2S.C4H5N/c1-11-2-5-14-15(8-11)20-16(13-3-4-13)21-17(14)22-9-12(10-22)6-7-19-25(18,23)24;1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13;1-7-2-5-9-10(6-7)13-11(8-3-4-8)14-12(9)15;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;5-3-4-1-2-4/h2,5,8,12-13,19H,3-4,6-7,9-10H2,1H3,(H2,18,23,24);2,5-6,8H,3-4H2,1H3;2,5-6,8H,3-4H2,1H3,(H,13,14,15);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);4H,1-2H2
InChIKeyAYTMSFBXOJGSLL-UHFFFAOYSA-N
MW1375.09 g/mol
LogP8.36
Rot. Bonds16

About 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

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 (PubChem CID 164954338) has the molecular formula C67H84ClN15O11S2 and a molecular weight of 1375.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID164954338
Molecular FormulaC67H84ClN15O11S2
Molecular Weight1375.09 g/mol
Exact Mass1373.56
IUPAC Name2-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
SMILESCOC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.Cc1ccc2c(=O)[nH]c(C3CC3)nc2c1.Cc1ccc2c(Cl)nc(C3CC3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(C3CC3)nc2c1.N#CC1CC1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C17H23N5O2S.C12H11ClN2.C12H12N2O.C9H11NO3.C8H9NO3.C5H13N3O2S.C4H5N/c1-11-2-5-14-15(8-11)20-16(13-3-4-13)21-17(14)22-9-12(10-22)6-7-19-25(18,23)24;1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13;1-7-2-5-9-10(6-7)13-11(8-3-4-8)14-12(9)15;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;5-3-4-1-2-4/h2,5,8,12-13,19H,3-4,6-7,9-10H2,1H3,(H2,18,23,24);2,5-6,8H,3-4H2,1H3;2,5-6,8H,3-4H2,1H3,(H,13,14,15);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);4H,1-2H2
InChIKeyAYTMSFBXOJGSLL-UHFFFAOYSA-N
XLogP8.36
TPSA414.85 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.09
LogP ≤ 58.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
3-aminobenzonitrile;N-[3-(aminomethyl)phenyl]-4-methoxy-N-methylbenzamide;N-(3-cyanophenyl)-4-methoxy-N-methylbenzamide;iodomethane;4-methoxybenzoic acid;4-[[3-[(4-methoxybenzoyl)-methylamino]phenyl]methylamino]quinazoline-8-carboxamide;3-[2-(4-methoxyphenyl)-2-oxoethyl]benzonitrile;methyl 4-chloroquinazoline-8-carboxylate;methyl 4-[[3-[(4-methoxybenzoyl)-methylamino]phenyl]methylamino]quinazoline-8-carboxylate
CID 169429523

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccc(OC)cc1N.COc1ccc(C(=O)O)c(N)c1.Cc1ccc2c(=O)[nH]c(C3CC3)nc2c1.Cc1ccc2c(Cl)nc(C3CC3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(C3CC3)nc2c1.N#CC1CC1.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 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?
The InChIKey is AYTMSFBXOJGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S.C12H11ClN2.C12H12N2O.C9H11NO3.C8H9NO3.C5H13N3O2S.C4H5N/c1-11-2-5-14-15(8-11)20-16(13-3-4-13)21-17(14)22-9-12(10-22)6-7-19-25(18,23)24;1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13;1-7-2-5-9-10(6-7)13-11(8-3-4-8)14-12(9)15;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;5-3-4-1-2-4/h2,5,8,12-13,19H,3-4,6-7,9-10H2,1H3,(H2,18,23,24);2,5-6,8H,3-4H2,1H3;2,5-6,8H,3-4H2,1H3,(H,13,14,15);3-5H,10H2,1-2H3;2-4H,9H2,1H3,(H,10,11);5,7-8H,1-4H2,(H2,6,9,10);4H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1375.09 g/mol, XLogP of 8.36, 16 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164954338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).