N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide

C29H33ClN6O2S — CID 162466249

IUPACN-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide
SMILESCCc1cc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)ncc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C29H33ClN6O2S/c1-3-18-15-25(32-17-26(18)36-39(37,38)27-8-6-5-7-24(27)30)20-13-19(4-2)28-21(14-20)16-33-29(35-28)34-23-11-9-22(31)10-12-23/h5-8,13-17,22-23,36H,3-4,9-12,31H2,1-2H3,(H,33,34,35)
InChIKeyLGRITSNRNCHHEG-UHFFFAOYSA-N
MW565.14 g/mol
LogP5.95
Rot. Bonds8

About N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide

N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide (PubChem CID 162466249) has the molecular formula C29H33ClN6O2S and a molecular weight of 565.14 g/mol. Its IUPAC name is N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide
PubChem CID162466249
Molecular FormulaC29H33ClN6O2S
Molecular Weight565.14 g/mol
Exact Mass564.21
IUPAC NameN-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide
SMILESCCc1cc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)ncc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C29H33ClN6O2S/c1-3-18-15-25(32-17-26(18)36-39(37,38)27-8-6-5-7-24(27)30)20-13-19(4-2)28-21(14-20)16-33-29(35-28)34-23-11-9-22(31)10-12-23/h5-8,13-17,22-23,36H,3-4,9-12,31H2,1-2H3,(H,33,34,35)
InChIKeyLGRITSNRNCHHEG-UHFFFAOYSA-N
XLogP5.95
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.14
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
N-[4-[2-[[(1R,3S)-3-aminocyclopentyl]amino]-8-ethylquinazolin-6-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide
CID 137351502
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
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-6-methylpyrazin-2-yl]benzenesulfonamide
CID 138706903
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
2-chloro-N-[5-[2-(cyclohexylamino)-8-ethylquinazolin-6-yl]-3-fluoro-2-pyridinyl]benzenesulfonamide
CID 138707719
2-chloro-N-[3-[8-ethyl-2-(piperidin-3-ylamino)quinazolin-6-yl]-1H-indazol-7-yl]benzenesulfonamide
CID 166693751
2-amino-N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-3-methylbutanamide
CID 167194621
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide (CID 162466249) is N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide is CCc1cc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)ncc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide?
The InChIKey is LGRITSNRNCHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN6O2S/c1-3-18-15-25(32-17-26(18)36-39(37,38)27-8-6-5-7-24(27)30)20-13-19(4-2)28-21(14-20)16-33-29(35-28)34-23-11-9-22(31)10-12-23/h5-8,13-17,22-23,36H,3-4,9-12,31H2,1-2H3,(H,33,34,35).
What are the key properties of N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide?
N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide has a molecular weight of 565.14 g/mol, XLogP of 5.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-4-ethyl-3-pyridinyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 162466249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).