7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one

C23H22ClN3O2S — CID 26396881

IUPAC7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESCN(Cc1cscn1)Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C23H22ClN3O2S/c1-26(14-20-15-30-16-25-20)13-18-11-17-7-8-19(24)12-22(17)27(23(18)28)9-10-29-21-5-3-2-4-6-21/h2-8,11-12,15-16H,9-10,13-14H2,1H3
InChIKeyCPCBIIWDILVWJJ-UHFFFAOYSA-N
MW439.97 g/mol
LogP4.82
Rot. Bonds8

About 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one

7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one (PubChem CID 26396881) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
PubChem CID26396881
Molecular FormulaC23H22ClN3O2S
Molecular Weight439.97 g/mol
Exact Mass439.11
IUPAC Name7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
SMILESCN(Cc1cscn1)Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O
InChIInChI=1S/C23H22ClN3O2S/c1-26(14-20-15-30-16-25-20)13-18-11-17-7-8-19(24)12-22(17)27(23(18)28)9-10-29-21-5-3-2-4-6-21/h2-8,11-12,15-16H,9-10,13-14H2,1H3
InChIKeyCPCBIIWDILVWJJ-UHFFFAOYSA-N
XLogP4.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
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-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
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-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
3-[[[(3Z,5E)-6-bromo-2-methylidenehepta-3,5-dienyl]amino]methyl]-7-chloro-1-(2-phenoxyethyl)quinolin-2-one
CID 169128512
7-chloro-N-(2-methylidenebut-3-enyl)-2-oxo-1-(2-phenoxyethyl)quinoline-3-carboxamide;prop-1-ene
CID 169128487

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The IUPAC name of 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one (CID 26396881) is 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The canonical SMILES for 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one is CN(Cc1cscn1)Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O.
What is the InChIKey of 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one?
The InChIKey is CPCBIIWDILVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-26(14-20-15-30-16-25-20)13-18-11-17-7-8-19(24)12-22(17)27(23(18)28)9-10-29-21-5-3-2-4-6-21/h2-8,11-12,15-16H,9-10,13-14H2,1H3.
What are the key properties of 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one?
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one has a molecular weight of 439.97 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one is sourced from PubChem (CID 26396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).