[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C29H26N2O — CID 171678806

IUPAC[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C29H26N2O/c32-29(31-20-6-10-24-9-4-5-11-28(24)31)25-14-18-27(19-15-25)30-26-16-12-23(13-17-26)21-22-7-2-1-3-8-22/h1-5,7-9,11-19,30H,6,10,20-21H2
InChIKeyFUBSICDABFPCSZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.61
Rot. Bonds5

About [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 171678806) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID171678806
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C29H26N2O/c32-29(31-20-6-10-24-9-4-5-11-28(24)31)25-14-18-27(19-15-25)30-26-16-12-23(13-17-26)21-22-7-2-1-3-8-22/h1-5,7-9,11-19,30H,6,10,20-21H2
InChIKeyFUBSICDABFPCSZ-UHFFFAOYSA-N
XLogP6.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 171678806) is [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1)N1CCCc2ccccc21.
What is the InChIKey of [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FUBSICDABFPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c32-29(31-20-6-10-24-9-4-5-11-28(24)31)25-14-18-27(19-15-25)30-26-16-12-23(13-17-26)21-22-7-2-1-3-8-22/h1-5,7-9,11-19,30H,6,10,20-21H2.
What are the key properties of [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 418.54 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 171678806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).