5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile

C16H11ClN4O2 — CID 118955458

IUPAC5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(15(22)21-13)8-19-14-4-2-12(7-18)20-16(14)23/h1-6,19H,8H2,(H,20,23)(H,21,22)
InChIKeyBJRNSMBACDBVMT-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.35
Rot. Bonds3

About 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 118955458) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID118955458
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(15(22)21-13)8-19-14-4-2-12(7-18)20-16(14)23/h1-6,19H,8H2,(H,20,23)(H,21,22)
InChIKeyBJRNSMBACDBVMT-UHFFFAOYSA-N
XLogP2.35
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
4-[[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]methyl]benzonitrile
CID 155527494
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-[methyl(2-methylpropyl)amino]pyridine-3-carbonitrile
CID 118956121
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile (CID 118955458) is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is BJRNSMBACDBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(15(22)21-13)8-19-14-4-2-12(7-18)20-16(14)23/h1-6,19H,8H2,(H,20,23)(H,21,22).
What are the key properties of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile?
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 326.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 118955458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).