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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).