6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one

C18H16ClN3O2 — CID 118955430

IUPAC6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1cccn(C2CC2)c1=O
InChIInChI=1S/C18H16ClN3O2/c19-13-3-6-15-11(9-13)8-12(17(23)21-15)10-20-16-2-1-7-22(18(16)24)14-4-5-14/h1-3,6-9,14,20H,4-5,10H2,(H,21,23)
InChIKeyDHDHUTUALAFFMG-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.29
Rot. Bonds4

About 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 118955430) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
PubChem CID118955430
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1cccn(C2CC2)c1=O
InChIInChI=1S/C18H16ClN3O2/c19-13-3-6-15-11(9-13)8-12(17(23)21-15)10-20-16-2-1-7-22(18(16)24)14-4-5-14/h1-3,6-9,14,20H,4-5,10H2,(H,21,23)
InChIKeyDHDHUTUALAFFMG-UHFFFAOYSA-N
XLogP3.29
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

Olutasidenib
CID 118955396
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CID 2806928
4-acetyl-7-chloro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 5113339
(E)-6-chloro-4-(1-cinnamylpiperidin-4-ylamino)-1-methylquinolin-2(1H)-one
CID 20817846
6-chloro-3-((1-ethyl-2-oxo-1,2-dihydropyridin-3-ylamino)methyl)quinolin-2(1H)-one
CID 118955389
5-(((6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955397
(S)-5-((1-(6-Chloro-7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955405
6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 118955416
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]amino]methyl]-1H-quinolin-2-one
CID 118955448
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
4-(((6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl)amino)benzonitrile
CID 118955679
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 9040816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one (CID 118955430) is 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1cccn(C2CC2)c1=O.
What is the InChIKey of 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is DHDHUTUALAFFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-13-3-6-15-11(9-13)8-12(17(23)21-15)10-20-16-2-1-7-22(18(16)24)14-4-5-14/h1-3,6-9,14,20H,4-5,10H2,(H,21,23).
What are the key properties of 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 341.80 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).