7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one

C25H24ClN3O3 — CID 163359200

IUPAC7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
SMILESCOc1ccc(OCCn2c(=O)c(CNCc3ccccn3)cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H24ClN3O3/c1-31-22-7-9-23(10-8-22)32-13-12-29-24-15-20(26)6-5-18(24)14-19(25(29)30)16-27-17-21-4-2-3-11-28-21/h2-11,14-15,27H,12-13,16-17H2,1H3
InChIKeyVCGAPCOMHDRGPY-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.43
Rot. Bonds9

About 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one

7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one (PubChem CID 163359200) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
PubChem CID163359200
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
SMILESCOc1ccc(OCCn2c(=O)c(CNCc3ccccn3)cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H24ClN3O3/c1-31-22-7-9-23(10-8-22)32-13-12-29-24-15-20(26)6-5-18(24)14-19(25(29)30)16-27-17-21-4-2-3-11-28-21/h2-11,14-15,27H,12-13,16-17H2,1H3
InChIKeyVCGAPCOMHDRGPY-UHFFFAOYSA-N
XLogP4.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one with MolForge

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Related Compounds

N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42398183
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
3-[[[(3Z,5E)-6-bromo-2-methylidenehepta-3,5-dienyl]amino]methyl]-7-chloro-1-(2-phenoxyethyl)quinolin-2-one
CID 169128512
7-chloro-3-[[[(2Z,3Z,5E)-5-methoxy-2-propylidenehepta-3,5-dienyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 170086144
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
7-chloro-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 42485422
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one?
The IUPAC name of 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one (CID 163359200) is 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one.
What is the SMILES notation for 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one?
The canonical SMILES for 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one is COc1ccc(OCCn2c(=O)c(CNCc3ccccn3)cc3ccc(Cl)cc32)cc1.
What is the InChIKey of 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one?
The InChIKey is VCGAPCOMHDRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-31-22-7-9-23(10-8-22)32-13-12-29-24-15-20(26)6-5-18(24)14-19(25(29)30)16-27-17-21-4-2-3-11-28-21/h2-11,14-15,27H,12-13,16-17H2,1H3.
What are the key properties of 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one?
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one has a molecular weight of 449.94 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one is sourced from PubChem (CID 163359200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).