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

C71H74ClFN14O8S2 — CID 165076075

IUPACbenzonitrile;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
SMILESCOC(=O)c1ccc(OC)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccc(F)cc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccccc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3ccccc3)nc2c1.N#Cc1ccccc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C20H23N5O2S.C15H11ClN2.C15H11FN2O.C9H11NO3.C7H5N.C5H13N3O2S/c1-14-7-8-17-18(11-14)23-19(16-5-3-2-4-6-16)24-20(17)25-12-15(13-25)9-10-22-28(21,26)27;1-10-7-8-12-13(9-10)17-15(18-14(12)16)11-5-3-2-4-6-11;1-9-2-7-12-13(8-9)17-14(18-15(12)19)10-3-5-11(16)6-4-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;8-6-7-4-2-1-3-5-7;6-11(9,10)8-2-1-5-3-7-4-5/h2-8,11,15,22H,9-10,12-13H2,1H3,(H2,21,26,27);2-9H,1H3;2-8H,1H3,(H,17,18,19);3-5H,10H2,1-2H3;1-5H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyUICSAOMCKSCCSM-UHFFFAOYSA-N
MW1370.05 g/mol
LogP10.53
Rot. Bonds14

About 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

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 (PubChem CID 165076075) has the molecular formula C71H74ClFN14O8S2 and a molecular weight of 1370.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzonitrile;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
PubChem CID165076075
Molecular FormulaC71H74ClFN14O8S2
Molecular Weight1370.05 g/mol
Exact Mass1368.49
IUPAC Namebenzonitrile;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
SMILESCOC(=O)c1ccc(OC)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccc(F)cc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccccc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3ccccc3)nc2c1.N#Cc1ccccc1.NS(=O)(=O)NCCC1CNC1
InChIInChI=1S/C20H23N5O2S.C15H11ClN2.C15H11FN2O.C9H11NO3.C7H5N.C5H13N3O2S/c1-14-7-8-17-18(11-14)23-19(16-5-3-2-4-6-16)24-20(17)25-12-15(13-25)9-10-22-28(21,26)27;1-10-7-8-12-13(9-10)17-15(18-14(12)16)11-5-3-2-4-6-11;1-9-2-7-12-13(8-9)17-14(18-15(12)19)10-3-5-11(16)6-4-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;8-6-7-4-2-1-3-5-7;6-11(9,10)8-2-1-5-3-7-4-5/h2-8,11,15,22H,9-10,12-13H2,1H3,(H2,21,26,27);2-9H,1H3;2-8H,1H3,(H,17,18,19);3-5H,10H2,1-2H3;1-5H;5,7-8H,1-4H2,(H2,6,9,10)
InChIKeyUICSAOMCKSCCSM-UHFFFAOYSA-N
XLogP10.53
TPSA342.30 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001370.05
LogP ≤ 510.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 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
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
4-chloro-2-(4-fluorophenyl)-6,7-dimethylquinazoline;4-fluorobenzonitrile;2-(4-fluorophenyl)-6,7-dimethyl-3H-quinazolin-4-one;2-(4-fluorophenyl)-6,7-dimethyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;3-[2-(sulfamoylamino)ethyl]azetidine
CID 164977026
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccc(OC)cc1N.Cc1ccc2c(=O)[nH]c(-c3ccc(F)cc3)nc2c1.Cc1ccc2c(Cl)nc(-c3ccccc3)nc2c1.Cc1ccc2c(N3CC(CCNS(N)(=O)=O)C3)nc(-c3ccccc3)nc2c1.N#Cc1ccccc1.NS(=O)(=O)NCCC1CNC1.
What is the InChIKey of 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?
The InChIKey is UICSAOMCKSCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S.C15H11ClN2.C15H11FN2O.C9H11NO3.C7H5N.C5H13N3O2S/c1-14-7-8-17-18(11-14)23-19(16-5-3-2-4-6-16)24-20(17)25-12-15(13-25)9-10-22-28(21,26)27;1-10-7-8-12-13(9-10)17-15(18-14(12)16)11-5-3-2-4-6-11;1-9-2-7-12-13(8-9)17-14(18-15(12)19)10-3-5-11(16)6-4-10;1-12-6-3-4-7(8(10)5-6)9(11)13-2;8-6-7-4-2-1-3-5-7;6-11(9,10)8-2-1-5-3-7-4-5/h2-8,11,15,22H,9-10,12-13H2,1H3,(H2,21,26,27);2-9H,1H3;2-8H,1H3,(H,17,18,19);3-5H,10H2,1-2H3;1-5H;5,7-8H,1-4H2,(H2,6,9,10).
What are the key properties of 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?
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 has a molecular weight of 1370.05 g/mol, XLogP of 10.53, 14 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165076075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).