N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide

C36H41ClN6O2 — CID 11215758

IUPACN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide
SMILESCC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C36H41ClN6O2/c1-25(40-30-8-6-16-38-24-30)31-9-3-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)28-22-27-7-2-4-10-32(27)39-23-28/h2-5,7,9-15,22-23,25,30,33,38,40H,6,8,16-21,24H2,1H3,(H,41,44)/t25?,30?,33-/m1/s1
InChIKeyNHZYDUWLLZYUEJ-ZVHXTAQDSA-N
MW625.22 g/mol
LogP4.98
Rot. Bonds9

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide (PubChem CID 11215758) has the molecular formula C36H41ClN6O2 and a molecular weight of 625.22 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide
PubChem CID11215758
Molecular FormulaC36H41ClN6O2
Molecular Weight625.22 g/mol
Exact Mass624.30
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide
SMILESCC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C36H41ClN6O2/c1-25(40-30-8-6-16-38-24-30)31-9-3-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)28-22-27-7-2-4-10-32(27)39-23-28/h2-5,7,9-15,22-23,25,30,33,38,40H,6,8,16-21,24H2,1H3,(H,41,44)/t25?,30?,33-/m1/s1
InChIKeyNHZYDUWLLZYUEJ-ZVHXTAQDSA-N
XLogP4.98
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.22
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-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

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
XR-9577
CID 15950351
N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CID 44138050
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
Nalpha-{4-[4-(5-Chloro-2-Methylphenyl)piperazin-1-Yl]-2-Fluorobenzoyl}-N-Pyridin-4-Yl-D-Tryptophanamide
CID 86278574
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492818
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492946

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide (CID 11215758) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide is CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The InChIKey is NHZYDUWLLZYUEJ-ZVHXTAQDSA-N. The full InChI is InChI=1S/C36H41ClN6O2/c1-25(40-30-8-6-16-38-24-30)31-9-3-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)28-22-27-7-2-4-10-32(27)39-23-28/h2-5,7,9-15,22-23,25,30,33,38,40H,6,8,16-21,24H2,1H3,(H,41,44)/t25?,30?,33-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide?
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide has a molecular weight of 625.22 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 11215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).