N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide

C29H27ClN4O2 — CID 46375237

IUPACN-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H27ClN4O2/c1-2-28(35)31-22-11-7-20(8-12-22)27-19-25(24-5-3-4-6-26(24)32-27)29(36)34-17-15-33(16-18-34)23-13-9-21(30)10-14-23/h3-14,19H,2,15-18H2,1H3,(H,31,35)
InChIKeyKMBFKDQBRNSORP-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.87
Rot. Bonds5

About N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide

N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide (PubChem CID 46375237) has the molecular formula C29H27ClN4O2 and a molecular weight of 499.01 g/mol. Its IUPAC name is N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
PubChem CID46375237
Molecular FormulaC29H27ClN4O2
Molecular Weight499.01 g/mol
Exact Mass498.18
IUPAC NameN-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H27ClN4O2/c1-2-28(35)31-22-11-7-20(8-12-22)27-19-25(24-5-3-4-6-26(24)32-27)29(36)34-17-15-33(16-18-34)23-13-9-21(30)10-14-23/h3-14,19H,2,15-18H2,1H3,(H,31,35)
InChIKeyKMBFKDQBRNSORP-UHFFFAOYSA-N
XLogP5.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide 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

N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
CID 46375309
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide (CID 46375237) is N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide?
The InChIKey is KMBFKDQBRNSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O2/c1-2-28(35)31-22-11-7-20(8-12-22)27-19-25(24-5-3-4-6-26(24)32-27)29(36)34-17-15-33(16-18-34)23-13-9-21(30)10-14-23/h3-14,19H,2,15-18H2,1H3,(H,31,35).
What are the key properties of N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide?
N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide has a molecular weight of 499.01 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide is sourced from PubChem (CID 46375237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).