6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C19H17N3O2S — CID 9264375

IUPAC6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-15-4-2-3-14(10-15)20-19-22-17(11-25-19)13-5-7-16-12(9-13)6-8-18(23)21-16/h2-5,7,9-11H,6,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyILWMRXBXVQWKEP-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.45
Rot. Bonds4

About 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9264375) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9264375
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1
InChIInChI=1S/C19H17N3O2S/c1-24-15-4-2-3-14(10-15)20-19-22-17(11-25-19)13-5-7-16-12(9-13)6-8-18(23)21-16/h2-5,7,9-11H,6,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyILWMRXBXVQWKEP-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 9264375) is 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is COc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1.
What is the InChIKey of 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ILWMRXBXVQWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-15-4-2-3-14(10-15)20-19-22-17(11-25-19)13-5-7-16-12(9-13)6-8-18(23)21-16/h2-5,7,9-11H,6,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 351.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9264375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).