(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H21NO — CID 112765959

IUPAC(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C19H21NO/c1-3-15-9-12-17(13-10-15)19(21)20-14(2)8-11-16-6-4-5-7-18(16)20/h4-7,9-10,12-14H,3,8,11H2,1-2H3
InChIKeyBLQQLFWHFKAEDJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.23
Rot. Bonds2

About (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 112765959) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID112765959
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C19H21NO/c1-3-15-9-12-17(13-10-15)19(21)20-14(2)8-11-16-6-4-5-7-18(16)20/h4-7,9-10,12-14H,3,8,11H2,1-2H3
InChIKeyBLQQLFWHFKAEDJ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 9488476
(5Z)-5-[[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 9488439
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55481253
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765907
(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732818
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 112765959) is (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CCc1ccc(C(=O)N2c3ccccc3CCC2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BLQQLFWHFKAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-15-9-12-17(13-10-15)19(21)20-14(2)8-11-16-6-4-5-7-18(16)20/h4-7,9-10,12-14H,3,8,11H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 112765959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).