3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide

C29H28ClN3O — CID 147034759

IUPAC3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
SMILESCC1CCCCN1Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc2c1
InChIInChI=1S/C29H28ClN3O/c1-20-6-2-3-15-33(20)19-21-11-13-27-23(16-21)12-14-28(32-27)22-7-5-10-26(18-22)31-29(34)24-8-4-9-25(30)17-24/h4-5,7-14,16-18,20H,2-3,6,15,19H2,1H3,(H,31,34)
InChIKeyAYGYGFPRLMOQNQ-UHFFFAOYSA-N
MW470.02 g/mol
LogP7.18
Rot. Bonds5

About 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide

3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide (PubChem CID 147034759) has the molecular formula C29H28ClN3O and a molecular weight of 470.02 g/mol. Its IUPAC name is 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
PubChem CID147034759
Molecular FormulaC29H28ClN3O
Molecular Weight470.02 g/mol
Exact Mass469.19
IUPAC Name3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
SMILESCC1CCCCN1Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc2c1
InChIInChI=1S/C29H28ClN3O/c1-20-6-2-3-15-33(20)19-21-11-13-27-23(16-21)12-14-28(32-27)22-7-5-10-26(18-22)31-29(34)24-8-4-9-25(30)17-24/h4-5,7-14,16-18,20H,2-3,6,15,19H2,1H3,(H,31,34)
InChIKeyAYGYGFPRLMOQNQ-UHFFFAOYSA-N
XLogP7.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
2-chloro-4-methylsulfonyl-N-[3-[6-(piperidin-1-ylmethyl)quinolin-2-yl]phenyl]benzamide
CID 74763695
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708840
3-[[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]methyl]benzoic acid
CID 122030312

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide (CID 147034759) is 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide is CC1CCCCN1Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccc2c1.
What is the InChIKey of 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide?
The InChIKey is AYGYGFPRLMOQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O/c1-20-6-2-3-15-33(20)19-21-11-13-27-23(16-21)12-14-28(32-27)22-7-5-10-26(18-22)31-29(34)24-8-4-9-25(30)17-24/h4-5,7-14,16-18,20H,2-3,6,15,19H2,1H3,(H,31,34).
What are the key properties of 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide?
3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide has a molecular weight of 470.02 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide is sourced from PubChem (CID 147034759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).