6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile

C17H13ClN4O — CID 118956132

IUPAC6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyBPIFALCAPCGTGS-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.37
Rot. Bonds3

About 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile

6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile (PubChem CID 118956132) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
PubChem CID118956132
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyBPIFALCAPCGTGS-UHFFFAOYSA-N
XLogP3.37
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile (CID 118956132) is 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile is Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The InChIKey is BPIFALCAPCGTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile has a molecular weight of 324.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 118956132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).