6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

C22H19ClN4O3 — CID 118955422

IUPAC6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESCn1cccc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)c1=O
InChIInChI=1S/C22H19ClN4O3/c1-27-8-4-6-18(22(27)29)25-12-15-9-14-10-17(23)20(11-19(14)26-21(15)28)30-13-16-5-2-3-7-24-16/h2-11,25H,12-13H2,1H3,(H,26,28)
InChIKeySWRGOIPVPPLYDR-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.47
Rot. Bonds6

About 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one

6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (PubChem CID 118955422) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
PubChem CID118955422
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
SMILESCn1cccc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)c1=O
InChIInChI=1S/C22H19ClN4O3/c1-27-8-4-6-18(22(27)29)25-12-15-9-14-10-17(23)20(11-19(14)26-21(15)28)30-13-16-5-2-3-7-24-16/h2-11,25H,12-13H2,1H3,(H,26,28)
InChIKeySWRGOIPVPPLYDR-UHFFFAOYSA-N
XLogP3.47
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one with MolForge

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Related Compounds

CID 118953762
CID 118953762
CID 118955394
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CID 118955433
CID 118955433
CID 118955555
CID 118955555
CID 118955650
CID 118955650
CID 118955663
CID 118955663
CID 132114492
CID 132114492
CID 1430848
CID 1430848
CID 57391530
CID 57391530
CID 11512587
CID 11512587
CID 11533928
CID 11533928
CID 11635691
CID 11635691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one (CID 118955422) is 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is Cn1cccc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)c1=O.
What is the InChIKey of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
The InChIKey is SWRGOIPVPPLYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-27-8-4-6-18(22(27)29)25-12-15-9-14-10-17(23)20(11-19(14)26-21(15)28)30-13-16-5-2-3-7-24-16/h2-11,25H,12-13H2,1H3,(H,26,28).
What are the key properties of 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one?
6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one has a molecular weight of 422.87 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-methyl-2-oxo-3-pyridinyl)amino]methyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 118955422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).