6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one

C26H29N3O3S — CID 125177205

IUPAC6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one
SMILESCOc1cc2cc(CN[C@H](C)c3csc(C)n3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C26H29N3O3S/c1-16-6-8-19(9-7-16)14-29-23-12-25(32-5)24(31-4)11-20(23)10-21(26(29)30)13-27-17(2)22-15-33-18(3)28-22/h6-12,15,17,27H,13-14H2,1-5H3/t17-/m1/s1
InChIKeyOCEAPWXTFIUGOG-QGZVFWFLSA-N
MW463.60 g/mol
LogP4.99
Rot. Bonds8

About 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one

6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one (PubChem CID 125177205) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one
PubChem CID125177205
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one
SMILESCOc1cc2cc(CN[C@H](C)c3csc(C)n3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C26H29N3O3S/c1-16-6-8-19(9-7-16)14-29-23-12-25(32-5)24(31-4)11-20(23)10-21(26(29)30)13-27-17(2)22-15-33-18(3)28-22/h6-12,15,17,27H,13-14H2,1-5H3/t17-/m1/s1
InChIKeyOCEAPWXTFIUGOG-QGZVFWFLSA-N
XLogP4.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-hydroxypropylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 26341732
3-[(furan-2-ylmethylamino)methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 26363503
3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-6,7-dimethoxy-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 118758749
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
CID 45225790
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
N-[[2-(2-chloroprop-2-enoxy)-6,7-dimethoxyquinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 45239273
1-(2-chloroprop-2-enyl)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxyquinolin-2-one
CID 28809263
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-thiazole
CID 114031406

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one (CID 125177205) is 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one is COc1cc2cc(CN[C@H](C)c3csc(C)n3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one?
The InChIKey is OCEAPWXTFIUGOG-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-16-6-8-19(9-7-16)14-29-23-12-25(32-5)24(31-4)11-20(23)10-21(26(29)30)13-27-17(2)22-15-33-18(3)28-22/h6-12,15,17,27H,13-14H2,1-5H3/t17-/m1/s1.
What are the key properties of 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one?
6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one has a molecular weight of 463.60 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]methyl]quinolin-2-one is sourced from PubChem (CID 125177205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).