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

C96H112ClN17O22S2 — CID 161386998

IUPAC2-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
SMILESCOc1cc(N)c(C(=O)O)cc1OC.COc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2ccccc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3ccccc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1
InChIInChI=1S/C23H29N5O4S.C16H13ClN2O2.C16H16N2O4.C16H14N2O3.C9H12N2O3.C9H11NO4.C7H17N3O2S/c1-31-20-14-18-19(15-21(20)32-2)26-22(17-6-4-3-5-7-17)27-23(18)28-12-9-16(10-13-28)8-11-25-33(24,29)30;1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10;1-21-13-8-11(15(17)19)12(9-14(13)22-2)18-16(20)10-6-4-3-5-7-10;1-20-13-8-11-12(9-14(13)21-2)17-15(18-16(11)19)10-6-4-3-5-7-10;2*1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h3-7,14-16,25H,8-13H2,1-2H3,(H2,24,29,30);3-9H,1-2H3;3-9H,1-2H3,(H2,17,19)(H,18,20);3-9H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);3-4H,10H2,1-2H3,(H,11,12);7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyVSMDRQGQKIWGAI-UHFFFAOYSA-N
MW1955.64 g/mol
LogP11.88
Rot. Bonds29

About 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

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 (PubChem CID 161386998) has the molecular formula C96H112ClN17O22S2 and a molecular weight of 1955.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161386998
Molecular FormulaC96H112ClN17O22S2
Molecular Weight1955.64 g/mol
Exact Mass1953.73
IUPAC Name2-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
SMILESCOc1cc(N)c(C(=O)O)cc1OC.COc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2ccccc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3ccccc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1
InChIInChI=1S/C23H29N5O4S.C16H13ClN2O2.C16H16N2O4.C16H14N2O3.C9H12N2O3.C9H11NO4.C7H17N3O2S/c1-31-20-14-18-19(15-21(20)32-2)26-22(17-6-4-3-5-7-17)27-23(18)28-12-9-16(10-13-28)8-11-25-33(24,29)30;1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10;1-21-13-8-11(15(17)19)12(9-14(13)22-2)18-16(20)10-6-4-3-5-7-10;1-20-13-8-11-12(9-14(13)21-2)17-15(18-16(11)19)10-6-4-3-5-7-10;2*1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h3-7,14-16,25H,8-13H2,1-2H3,(H2,24,29,30);3-9H,1-2H3;3-9H,1-2H3,(H2,17,19)(H,18,20);3-9H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);3-4H,10H2,1-2H3,(H,11,12);7,9-10H,1-6H2,(H2,8,11,12)
InChIKeyVSMDRQGQKIWGAI-UHFFFAOYSA-N
XLogP11.88
TPSA572.34 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.64
LogP ≤ 511.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

[4-[[6-[6-[6-[[4-[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]phenyl]-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 49860766
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazoline;6,7-dimethoxy-2-[1-(trifluoromethyl)cyclopropyl]-3H-quinazolin-4-one;[6,7-dimethoxy-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-4-yl] trifluoromethanesulfonate;1-(2-methoxyphenyl)piperazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 157934175
4-Chloro-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline;ethyl 2-amino-5-methoxy-4-(3-piperidin-1-ylpropoxy)benzoate;ethyl 5-methoxy-2-nitro-4-(3-piperidin-1-ylpropoxy)benzoate
CID 91288378
2-amino-4,5-dimethoxybenzoic acid;4-chloro-6,7-dimethoxyquinazoline;6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 136044001
2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride
CID 157329446
2-amino-4,5-dimethoxybenzoic acid;tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate;4-chloro-7-methoxy-6-methylquinazoline;4-chloro-7-methoxyquinazolin-6-ol;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride
CID 157442142
3-chloro-2-fluoroaniline;[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;(4-chloro-7-methoxyquinazolin-6-yl) acetate;deuterio(fluoro)methane;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate
CID 157454936
2-amino-4,5-bis(trideuteriomethoxy)benzoic acid;3,4-bis(trideuteriomethoxy)benzoic acid;6,7-bis(trideuteriomethoxy)-1H-quinazoline-2,4-dione;2-chloro-6,7-bis(trideuteriomethoxy)quinazolin-4-amine;2,4-dichloro-6,7-bis(trideuteriomethoxy)quinazoline;methyl 3,4-bis(trideuteriomethoxy)benzoate;methyl 3,4-dihydroxybenzoate;2-nitro-4,5-bis(trideuteriomethoxy)benzoic acid
CID 157748522
bis(6,7-dimethoxy-2-(4-methoxycyclohexyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline);6,7-dimethoxy-2-(4-methoxycyclohexyl)-3H-quinazolin-4-one;1-(2-methoxyphenyl)piperazine
CID 157786896
2-amino-4,5-dimethoxybenzoic acid;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-methylquinazolin-4-amine;4-chloro-7-methoxy-6-methylquinazoline;6,7-dimethoxy-3H-quinazolin-4-one;6-hydroxy-7-methoxy-3H-quinazolin-4-one;methanimidamide;7-methoxy-6-methyl-3H-quinazolin-4-one;hydrochloride
CID 158101718
N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-2-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-2-ylquinazoline;6,7-dimethoxy-2-pyridin-2-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-2-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;4-[2-(sulfamoylamino)ethyl]piperidine
CID 158140910
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzyl-N-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide;1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzylpiperidine-4-carboxylic acid
CID 158244565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N)c(C(=O)O)cc1OC.COc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2ccccc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3ccccc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)NCCC1CCNCC1.
What is the InChIKey of 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?
The InChIKey is VSMDRQGQKIWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S.C16H13ClN2O2.C16H16N2O4.C16H14N2O3.C9H12N2O3.C9H11NO4.C7H17N3O2S/c1-31-20-14-18-19(15-21(20)32-2)26-22(17-6-4-3-5-7-17)27-23(18)28-12-9-16(10-13-28)8-11-25-33(24,29)30;1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10;1-21-13-8-11(15(17)19)12(9-14(13)22-2)18-16(20)10-6-4-3-5-7-10;1-20-13-8-11-12(9-14(13)21-2)17-15(18-16(11)19)10-6-4-3-5-7-10;2*1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7/h3-7,14-16,25H,8-13H2,1-2H3,(H2,24,29,30);3-9H,1-2H3;3-9H,1-2H3,(H2,17,19)(H,18,20);3-9H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);3-4H,10H2,1-2H3,(H,11,12);7,9-10H,1-6H2,(H2,8,11,12).
What are the key properties of 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?
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 has a molecular weight of 1955.64 g/mol, XLogP of 11.88, 29 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161386998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).