7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one

C22H25ClN2O3 — CID 45172315

IUPAC7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESCOCC(C)NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C22H25ClN2O3/c1-16(15-27-2)24-14-18-12-17-8-9-19(23)13-21(17)25(22(18)26)10-11-28-20-6-4-3-5-7-20/h3-9,12-13,16,24H,10-11,14-15H2,1-2H3
InChIKeyUZCXLGSTFVWHRX-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.86
Rot. Bonds9

About 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one

7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one (PubChem CID 45172315) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
PubChem CID45172315
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESCOCC(C)NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C22H25ClN2O3/c1-16(15-27-2)24-14-18-12-17-8-9-19(23)13-21(17)25(22(18)26)10-11-28-20-6-4-3-5-7-20/h3-9,12-13,16,24H,10-11,14-15H2,1-2H3
InChIKeyUZCXLGSTFVWHRX-UHFFFAOYSA-N
XLogP3.86
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-3-[[[(2Z,3Z,5E)-5-methoxy-2-propylidenehepta-3,5-dienyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 170086144
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-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The IUPAC name of 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one (CID 45172315) is 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The canonical SMILES for 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one is COCC(C)NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O.
What is the InChIKey of 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The InChIKey is UZCXLGSTFVWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-16(15-27-2)24-14-18-12-17-8-9-19(23)13-21(17)25(22(18)26)10-11-28-20-6-4-3-5-7-20/h3-9,12-13,16,24H,10-11,14-15H2,1-2H3.
What are the key properties of 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one?
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one has a molecular weight of 400.91 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one is sourced from PubChem (CID 45172315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).