6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine

C32H35ClFN3O3S — CID 148674155

IUPAC6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
SMILESCCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)cc2OC)cc2cnc(NC3CCC(CC)CC3)nc12
InChIInChI=1S/C32H35ClFN3O3S/c1-4-20-10-12-25(13-11-20)36-32-35-18-23-15-22(14-21(5-2)31(23)37-32)26-17-28(34)24(16-29(26)40-3)19-41(38,39)30-9-7-6-8-27(30)33/h6-9,14-18,20,25H,4-5,10-13,19H2,1-3H3,(H,35,36,37)
InChIKeyNQHQAPNFCSANGU-UHFFFAOYSA-N
MW596.17 g/mol
LogP8.01
Rot. Bonds9

About 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine

6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine (PubChem CID 148674155) has the molecular formula C32H35ClFN3O3S and a molecular weight of 596.17 g/mol. Its IUPAC name is 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
PubChem CID148674155
Molecular FormulaC32H35ClFN3O3S
Molecular Weight596.17 g/mol
Exact Mass595.21
IUPAC Name6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
SMILESCCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)cc2OC)cc2cnc(NC3CCC(CC)CC3)nc12
InChIInChI=1S/C32H35ClFN3O3S/c1-4-20-10-12-25(13-11-20)36-32-35-18-23-15-22(14-21(5-2)31(23)37-32)26-17-28(34)24(16-29(26)40-3)19-41(38,39)30-9-7-6-8-27(30)33/h6-9,14-18,20,25H,4-5,10-13,19H2,1-3H3,(H,35,36,37)
InChIKeyNQHQAPNFCSANGU-UHFFFAOYSA-N
XLogP8.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.17
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]-5-fluoro-2-methoxyphenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 142488930
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
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-3-fluoro-2-pyridinyl]benzenesulfonamide
CID 138707719
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-(trifluoromethoxy)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137352102
[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamic acid
CID 137351781
N-[4-[2-[[(1R,3S)-3-aminocyclopentyl]amino]-8-ethylquinazolin-6-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide
CID 137351502
N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide
CID 162466249
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]-5-ethylpyridazin-3-yl]-2-chlorobenzenesulfonamide
CID 137351958

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The IUPAC name of 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine (CID 148674155) is 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine.
What is the SMILES notation for 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The canonical SMILES for 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine is CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)cc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.
What is the InChIKey of 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
The InChIKey is NQHQAPNFCSANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN3O3S/c1-4-20-10-12-25(13-11-20)36-32-35-18-23-15-22(14-21(5-2)31(23)37-32)26-17-28(34)24(16-29(26)40-3)19-41(38,39)30-9-7-6-8-27(30)33/h6-9,14-18,20,25H,4-5,10-13,19H2,1-3H3,(H,35,36,37).
What are the key properties of 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine?
6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine has a molecular weight of 596.17 g/mol, XLogP of 8.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine is sourced from PubChem (CID 148674155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).