6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile

C17H13ClN4O2 — CID 118955591

IUPAC6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NCc2cc3cc(Cl)c(O)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C17H13ClN4O2/c1-9-10(7-19)2-3-16(21-9)20-8-12-4-11-5-13(18)15(23)6-14(11)22-17(12)24/h2-6,23H,8H2,1H3,(H,20,21)(H,22,24)
InChIKeyLRMHFKMYOVKUJO-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.07
Rot. Bonds3

About 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile

6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile (PubChem CID 118955591) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
PubChem CID118955591
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NCc2cc3cc(Cl)c(O)cc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C17H13ClN4O2/c1-9-10(7-19)2-3-16(21-9)20-8-12-4-11-5-13(18)15(23)6-14(11)22-17(12)24/h2-6,23H,8H2,1H3,(H,20,21)(H,22,24)
InChIKeyLRMHFKMYOVKUJO-UHFFFAOYSA-N
XLogP3.07
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile (CID 118955591) is 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile is Cc1nc(NCc2cc3cc(Cl)c(O)cc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
The InChIKey is LRMHFKMYOVKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-9-10(7-19)2-3-16(21-9)20-8-12-4-11-5-13(18)15(23)6-14(11)22-17(12)24/h2-6,23H,8H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile?
6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile has a molecular weight of 340.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-7-hydroxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 118955591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).