2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide

C22H22ClN3O — CID 55849634

IUPAC2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C22H22ClN3O/c23-21-10-8-17-14-18(7-9-20(17)25-21)22(27)24-19-6-4-5-16(13-19)15-26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,15H2,(H,24,27)
InChIKeyCGSKEUBFOCZXID-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.13
Rot. Bonds4

About 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide

2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide (PubChem CID 55849634) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
PubChem CID55849634
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C22H22ClN3O/c23-21-10-8-17-14-18(7-9-20(17)25-21)22(27)24-19-6-4-5-16(13-19)15-26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,15H2,(H,24,27)
InChIKeyCGSKEUBFOCZXID-UHFFFAOYSA-N
XLogP5.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide (CID 55849634) is 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide is O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide?
The InChIKey is CGSKEUBFOCZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-21-10-8-17-14-18(7-9-20(17)25-21)22(27)24-19-6-4-5-16(13-19)15-26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,15H2,(H,24,27).
What are the key properties of 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide?
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 55849634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).