4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide

C33H29ClN4O — CID 22340315

IUPAC4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H29ClN4O/c34-28-13-10-25(11-14-28)24-6-8-26(9-7-24)33(39)36-29-16-17-32-27(22-29)12-15-30(35-32)23-37-18-20-38(21-19-37)31-4-2-1-3-5-31/h1-17,22H,18-21,23H2,(H,36,39)
InChIKeyYTYXFLCKASRSOS-UHFFFAOYSA-N
MW533.08 g/mol
LogP7.13
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide

4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide (PubChem CID 22340315) has the molecular formula C33H29ClN4O and a molecular weight of 533.08 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
PubChem CID22340315
Molecular FormulaC33H29ClN4O
Molecular Weight533.08 g/mol
Exact Mass532.20
IUPAC Name4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H29ClN4O/c34-28-13-10-25(11-14-28)24-6-8-26(9-7-24)33(39)36-29-16-17-32-27(22-29)12-15-30(35-32)23-37-18-20-38(21-19-37)31-4-2-1-3-5-31/h1-17,22H,18-21,23H2,(H,36,39)
InChIKeyYTYXFLCKASRSOS-UHFFFAOYSA-N
XLogP7.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.08
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340293
4-(4-chlorophenyl)-N-[2-(1,3-thiazolidin-3-ylmethyl)quinolin-6-yl]benzamide
CID 22340496
4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340272
4-(4-chlorophenyl)-N-[2-[(N-methylanilino)methyl]quinolin-6-yl]benzamide
CID 20823335
4-(4-chlorophenyl)-N-[2-[(dimethylamino)methyl]quinolin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 44527622
6-(4-chlorophenyl)-3-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]-4a,7a-dihydrothieno[3,2-d]pyrimidin-4-one
CID 158513466
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
4-[[4-[(4-phenylpiperazin-1-yl)methyl]benzoyl]amino]benzenesulfinic acid
CID 144711516
4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358138
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
CID 22340484
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide (CID 22340315) is 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide is O=C(Nc1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide?
The InChIKey is YTYXFLCKASRSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClN4O/c34-28-13-10-25(11-14-28)24-6-8-26(9-7-24)33(39)36-29-16-17-32-27(22-29)12-15-30(35-32)23-37-18-20-38(21-19-37)31-4-2-1-3-5-31/h1-17,22H,18-21,23H2,(H,36,39).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide?
4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide has a molecular weight of 533.08 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-yl]benzamide is sourced from PubChem (CID 22340315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).