(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone

C19H20FNO — CID 110289012

IUPAC(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone
SMILESCCC1c2ccc(C)cc2CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H20FNO/c1-3-18-17-8-7-13(2)11-14(17)9-10-21(18)19(22)15-5-4-6-16(20)12-15/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyBWFDDLJZUDAZPC-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.28
Rot. Bonds2

About (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone

(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone (PubChem CID 110289012) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone
PubChem CID110289012
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone
SMILESCCC1c2ccc(C)cc2CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H20FNO/c1-3-18-17-8-7-13(2)11-14(17)9-10-21(18)19(22)15-5-4-6-16(20)12-15/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyBWFDDLJZUDAZPC-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3-fluorophenyl)methanone
CID 3647250
[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
CID 23798323
2-[3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetic acid
CID 167809841
(1R)-1-[[(3-fluorobenzoyl)amino]methyl]-6,7-dimethoxy-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 93148096
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
CID 4302060
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392
(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38496822
(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110288878

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone (CID 110289012) is (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone is CCC1c2ccc(C)cc2CCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone?
The InChIKey is BWFDDLJZUDAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-3-18-17-8-7-13(2)11-14(17)9-10-21(18)19(22)15-5-4-6-16(20)12-15/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone?
(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone has a molecular weight of 297.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 110289012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).