6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine

C31H35ClN4O3S — CID 167623361

IUPAC6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12
InChIInChI=1S/C31H35ClN4O3S/c1-4-20-10-12-24(13-11-20)35-31-33-18-23-17-22(16-21(5-2)29(23)36-31)26-15-14-25(34-30(26)39-3)19-40(37,38)28-9-7-6-8-27(28)32/h6-9,14-18,20,24H,4-5,10-13,19H2,1-3H3,(H,33,35,36)
InChIKeyOZVOZIDYOWYRQH-UHFFFAOYSA-N
MW579.17 g/mol
LogP7.27
Rot. Bonds9

About 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine

6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine (PubChem CID 167623361) has the molecular formula C31H35ClN4O3S and a molecular weight of 579.17 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
PubChem CID167623361
Molecular FormulaC31H35ClN4O3S
Molecular Weight579.17 g/mol
Exact Mass578.21
IUPAC Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12
InChIInChI=1S/C31H35ClN4O3S/c1-4-20-10-12-24(13-11-20)35-31-33-18-23-17-22(16-21(5-2)29(23)36-31)26-15-14-25(34-30(26)39-3)19-40(37,38)28-9-7-6-8-27(28)32/h6-9,14-18,20,24H,4-5,10-13,19H2,1-3H3,(H,33,35,36)
InChIKeyOZVOZIDYOWYRQH-UHFFFAOYSA-N
XLogP7.27
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.17
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine with MolForge

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Related Compounds

4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 148674155
tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-methylcyclohexane-1,4-diamine
CID 167623973
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-(trifluoromethoxy)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137352102
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 159121063
5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]ethenyl]-N-(4-ethylcyclohexyl)pyrimidin-2-amine
CID 163914550
[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamic acid
CID 137351781
6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;2-chlorobenzenethiol;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;4-ethylcyclohexan-1-amine;2-methoxy-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dihydrate
CID 157068897
tert-butyl N-[4-[[8-ethyl-6-[2-methyl-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate
CID 158803169
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]pyrazin-2-yl]-2-chlorobenzenesulfonamide
CID 137351484
N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide
CID 162466249

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine (CID 167623361) is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The InChIKey is OZVOZIDYOWYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O3S/c1-4-20-10-12-24(13-11-20)35-31-33-18-23-17-22(16-21(5-2)29(23)36-31)26-15-14-25(34-30(26)39-3)19-40(37,38)28-9-7-6-8-27(28)32/h6-9,14-18,20,24H,4-5,10-13,19H2,1-3H3,(H,33,35,36).
What are the key properties of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine has a molecular weight of 579.17 g/mol, XLogP of 7.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine is sourced from PubChem (CID 167623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).