1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline

C19H23N — CID 171430341

IUPAC1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)C1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C19H23N/c1-15(2)18-12-17-10-6-7-11-19(17)20(14-18)13-16-8-4-3-5-9-16/h3-11,15,18H,12-14H2,1-2H3
InChIKeyLHBJPGPSTQPRPB-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.52
Rot. Bonds3

About 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline

1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 171430341) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID171430341
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)C1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C19H23N/c1-15(2)18-12-17-10-6-7-11-19(17)20(14-18)13-16-8-4-3-5-9-16/h3-11,15,18H,12-14H2,1-2H3
InChIKeyLHBJPGPSTQPRPB-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82981195
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
CID 161163508
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903104
1-benzyl-3-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79910404
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
4-benzyl-2-tert-butyl-2,3-dihydroquinoxaline-1-carboxylic acid
CID 170157018

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline (CID 171430341) is 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)C1Cc2ccccc2N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is LHBJPGPSTQPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-15(2)18-12-17-10-6-7-11-19(17)20(14-18)13-16-8-4-3-5-9-16/h3-11,15,18H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 265.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 171430341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).