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

C16H19N3OS — CID 9343342

IUPAC6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C16H19N3OS/c1-10(2)8-17-16-19-14(9-21-16)12-3-5-13-11(7-12)4-6-15(20)18-13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOFUUNLDCXJXHSY-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.76
Rot. Bonds4

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

6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9343342) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9343342
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C16H19N3OS/c1-10(2)8-17-16-19-14(9-21-16)12-3-5-13-11(7-12)4-6-15(20)18-13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOFUUNLDCXJXHSY-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 135221798
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 9343342) is 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CC(C)CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OFUUNLDCXJXHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)8-17-16-19-14(9-21-16)12-3-5-13-11(7-12)4-6-15(20)18-13/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9343342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).