N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide

C27H25ClN4O — CID 17375211

IUPACN-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C27H25ClN4O/c28-21-6-7-25-23(16-21)24(17-26(31-25)20-8-12-29-13-9-20)27(33)30-22-10-14-32(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,30,33)
InChIKeyHGNKPMCVRMVSIK-UHFFFAOYSA-N
MW456.98 g/mol
LogP5.34
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide

N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 17375211) has the molecular formula C27H25ClN4O and a molecular weight of 456.98 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID17375211
Molecular FormulaC27H25ClN4O
Molecular Weight456.98 g/mol
Exact Mass456.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C27H25ClN4O/c28-21-6-7-25-23(16-21)24(17-26(31-25)20-8-12-29-13-9-20)27(33)30-22-10-14-32(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,30,33)
InChIKeyHGNKPMCVRMVSIK-UHFFFAOYSA-N
XLogP5.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide (CID 17375211) is N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is HGNKPMCVRMVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O/c28-21-6-7-25-23(16-21)24(17-26(31-25)20-8-12-29-13-9-20)27(33)30-22-10-14-32(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2,(H,30,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 17375211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).