(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H16N2O2S — CID 75473113

IUPAC(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1scnc1C1CC1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H16N2O2S/c19-12-5-1-3-11-4-2-8-18(14(11)12)16(20)15-13(10-6-7-10)17-9-21-15/h1,3,5,9-10,19H,2,4,6-8H2
InChIKeyVDABKMKFCLCDAZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.32
Rot. Bonds2

About (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 75473113) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID75473113
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1scnc1C1CC1)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H16N2O2S/c19-12-5-1-3-11-4-2-8-18(14(11)12)16(20)15-13(10-6-7-10)17-9-21-15/h1,3,5,9-10,19H,2,4,6-8H2
InChIKeyVDABKMKFCLCDAZ-UHFFFAOYSA-N
XLogP3.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79807986
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215456
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
CID 117214886
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 75473113) is (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1scnc1C1CC1)N1CCCc2cccc(O)c21.
What is the InChIKey of (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VDABKMKFCLCDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-12-5-1-3-11-4-2-8-18(14(11)12)16(20)15-13(10-6-7-10)17-9-21-15/h1,3,5,9-10,19H,2,4,6-8H2.
What are the key properties of (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 300.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-thiazol-5-yl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 75473113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).