2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole

C23H23N3O3S — CID 23156647

IUPAC2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole
SMILESCOc1cc2nccc(Oc3cc(C)c(C)nc3-c3nc(C)c(C)s3)c2cc1OC
InChIInChI=1S/C23H23N3O3S/c1-12-9-21(22(25-13(12)2)23-26-14(3)15(4)30-23)29-18-7-8-24-17-11-20(28-6)19(27-5)10-16(17)18/h7-11H,1-6H3
InChIKeyBZURZWFTIHUHRB-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.80
Rot. Bonds5

About 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole

2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 23156647) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole
PubChem CID23156647
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole
SMILESCOc1cc2nccc(Oc3cc(C)c(C)nc3-c3nc(C)c(C)s3)c2cc1OC
InChIInChI=1S/C23H23N3O3S/c1-12-9-21(22(25-13(12)2)23-26-14(3)15(4)30-23)29-18-7-8-24-17-11-20(28-6)19(27-5)10-16(17)18/h7-11H,1-6H3
InChIKeyBZURZWFTIHUHRB-UHFFFAOYSA-N
XLogP5.80
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole 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

6,7-dimethoxy-4-[[2-(5-methoxy-3-pyridinyl)-5,6-dimethyl-3-pyridinyl]oxy]quinoline
CID 23156578
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol
CID 143092910
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
CID 23156614
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
CID 91595077
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-6-methylquinoline
CID 23156612
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethyldiazene
CID 91025489
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole (CID 23156647) is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole is COc1cc2nccc(Oc3cc(C)c(C)nc3-c3nc(C)c(C)s3)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is BZURZWFTIHUHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-12-9-21(22(25-13(12)2)23-26-14(3)15(4)30-23)29-18-7-8-24-17-11-20(28-6)19(27-5)10-16(17)18/h7-11H,1-6H3.
What are the key properties of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole?
2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 421.52 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 23156647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).