6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide

C22H23ClN4O — CID 15994147

IUPAC6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(Cl)nc3)cc12
InChIInChI=1S/C22H23ClN4O/c1-14-7-9-27(10-8-14)21-11-15(2)18-12-17(4-5-19(18)26-21)25-22(28)16-3-6-20(23)24-13-16/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)
InChIKeyXRPHWJGAOBJDSE-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.08
Rot. Bonds3

About 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide

6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide (PubChem CID 15994147) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide
PubChem CID15994147
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(Cl)nc3)cc12
InChIInChI=1S/C22H23ClN4O/c1-14-7-9-27(10-8-14)21-11-15(2)18-12-17(4-5-19(18)26-21)25-22(28)16-3-6-20(23)24-13-16/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)
InChIKeyXRPHWJGAOBJDSE-UHFFFAOYSA-N
XLogP5.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide (CID 15994147) is 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide is Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(Cl)nc3)cc12.
What is the InChIKey of 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide?
The InChIKey is XRPHWJGAOBJDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-14-7-9-27(10-8-14)21-11-15(2)18-12-17(4-5-19(18)26-21)25-22(28)16-3-6-20(23)24-13-16/h3-6,11-14H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide?
6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15994147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).