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

C16H18N2O2S — CID 48575972

IUPAC(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCCc3cccc(OC)c32)s1
InChIInChI=1S/C16H18N2O2S/c1-3-14-17-10-13(21-14)16(19)18-9-5-7-11-6-4-8-12(20-2)15(11)18/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyKWXKZBFDAFBXIW-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.31
Rot. Bonds3

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

(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 48575972) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID48575972
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCCc3cccc(OC)c32)s1
InChIInChI=1S/C16H18N2O2S/c1-3-14-17-10-13(21-14)16(19)18-9-5-7-11-6-4-8-12(20-2)15(11)18/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyKWXKZBFDAFBXIW-UHFFFAOYSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388
(2-chlorofuran-3-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106686458
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 43066680
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60958471
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(phenoxymethyl)furan-2-yl]methanone
CID 43066677
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 48575972) is (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is CCc1ncc(C(=O)N2CCCc3cccc(OC)c32)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KWXKZBFDAFBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-14-17-10-13(21-14)16(19)18-9-5-7-11-6-4-8-12(20-2)15(11)18/h4,6,8,10H,3,5,7,9H2,1-2H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 48575972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).