N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide

C42H50ClN5O2 — CID 10146660

IUPACN-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide
SMILESCC(c1ccccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)c2ccc3ncccc3c2)CC1)N(CC1CCCCC1)CC1CC1
InChIInChI=1S/C42H50ClN5O2/c1-30(48(29-33-13-14-33)28-32-8-3-2-4-9-32)37-11-5-6-12-40(37)46-22-24-47(25-23-46)42(50)39(26-31-15-18-36(43)19-16-31)45-41(49)35-17-20-38-34(27-35)10-7-21-44-38/h5-7,10-12,15-21,27,30,32-33,39H,2-4,8-9,13-14,22-26,28-29H2,1H3,(H,45,49)
InChIKeyUXNUYXCDEWRONF-UHFFFAOYSA-N
MW692.35 g/mol
LogP7.93
Rot. Bonds12

About N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide

N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide (PubChem CID 10146660) has the molecular formula C42H50ClN5O2 and a molecular weight of 692.35 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide
PubChem CID10146660
Molecular FormulaC42H50ClN5O2
Molecular Weight692.35 g/mol
Exact Mass691.37
IUPAC NameN-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide
SMILESCC(c1ccccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)c2ccc3ncccc3c2)CC1)N(CC1CCCCC1)CC1CC1
InChIInChI=1S/C42H50ClN5O2/c1-30(48(29-33-13-14-33)28-32-8-3-2-4-9-32)37-11-5-6-12-40(37)46-22-24-47(25-23-46)42(50)39(26-31-15-18-36(43)19-16-31)45-41(49)35-17-20-38-34(27-35)10-7-21-44-38/h5-7,10-12,15-21,27,30,32-33,39H,2-4,8-9,13-14,22-26,28-29H2,1H3,(H,45,49)
InChIKeyUXNUYXCDEWRONF-UHFFFAOYSA-N
XLogP7.93
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.35
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-(4-chlorophenyl)-1-[4-[2-[1-[cyclopropylmethyl(3-methylbutyl)amino]ethyl]phenyl]piperazin-1-yl]propan-1-one
CID 69141067
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11341811
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048
tert-butyl 3-[[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
CID 21060097
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 10304327
4-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55447451
N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
CID 91444771
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 35807041
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[(dimethylamino)methyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]azetidine-3-carboxamide
CID 21060093

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide (CID 10146660) is N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide is CC(c1ccccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)c2ccc3ncccc3c2)CC1)N(CC1CCCCC1)CC1CC1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide?
The InChIKey is UXNUYXCDEWRONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50ClN5O2/c1-30(48(29-33-13-14-33)28-32-8-3-2-4-9-32)37-11-5-6-12-40(37)46-22-24-47(25-23-46)42(50)39(26-31-15-18-36(43)19-16-31)45-41(49)35-17-20-38-34(27-35)10-7-21-44-38/h5-7,10-12,15-21,27,30,32-33,39H,2-4,8-9,13-14,22-26,28-29H2,1H3,(H,45,49).
What are the key properties of N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide?
N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide has a molecular weight of 692.35 g/mol, XLogP of 7.93, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-[4-[2-[1-[cyclohexylmethyl(cyclopropylmethyl)amino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 10146660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).