7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

C20H22ClN3O — CID 42398183

IUPAC7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCC(C)CNCc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C20H22ClN3O/c1-14(2)11-22-12-16-9-15-6-7-17(21)10-19(15)24(20(16)25)13-18-5-3-4-8-23-18/h3-10,14,22H,11-13H2,1-2H3
InChIKeySQXXUCNMHPOIAT-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.84
Rot. Bonds6

About 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 42398183) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID42398183
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCC(C)CNCc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C20H22ClN3O/c1-14(2)11-22-12-16-9-15-6-7-17(21)10-19(15)24(20(16)25)13-18-5-3-4-8-23-18/h3-10,14,22H,11-13H2,1-2H3
InChIKeySQXXUCNMHPOIAT-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
3-[[[(4-chlorophenyl)-phenylmethyl]amino]methyl]-7-methylsulfanyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 45246344
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 42485422
7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29084542
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
6-chloro-1-(2-pyridin-2-ylethyl)indole
CID 116620589
5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 86795432
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29256594
N-[[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 114864921
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 42398183) is 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is CC(C)CNCc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is SQXXUCNMHPOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(2)11-22-12-16-9-15-6-7-17(21)10-19(15)24(20(16)25)13-18-5-3-4-8-23-18/h3-10,14,22H,11-13H2,1-2H3.
What are the key properties of 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 355.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 42398183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).