[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone

C23H21NO — CID 71324029

IUPAC[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone
SMILESCc1ccc(N2C=CC=C3CCCC(C(=O)c4ccccc4)=C32)cc1
InChIInChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-16-6-10-18-9-5-11-21(22(18)24)23(25)19-7-3-2-4-8-19/h2-4,6-8,10,12-16H,5,9,11H2,1H3
InChIKeyTUIHBEMUIKIXCG-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.58
Rot. Bonds3

About [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone

[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone (PubChem CID 71324029) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone
PubChem CID71324029
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone
SMILESCc1ccc(N2C=CC=C3CCCC(C(=O)c4ccccc4)=C32)cc1
InChIInChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-16-6-10-18-9-5-11-21(22(18)24)23(25)19-7-3-2-4-8-19/h2-4,6-8,10,12-16H,5,9,11H2,1H3
InChIKeyTUIHBEMUIKIXCG-UHFFFAOYSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone?
The IUPAC name of [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone (CID 71324029) is [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone is Cc1ccc(N2C=CC=C3CCCC(C(=O)c4ccccc4)=C32)cc1.
What is the InChIKey of [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone?
The InChIKey is TUIHBEMUIKIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17-12-14-20(15-13-17)24-16-6-10-18-9-5-11-21(22(18)24)23(25)19-7-3-2-4-8-19/h2-4,6-8,10,12-16H,5,9,11H2,1H3.
What are the key properties of [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone?
[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone has a molecular weight of 327.43 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone is sourced from PubChem (CID 71324029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).