3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C30H34N2O — CID 15542921

IUPAC3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCCCC2)Cc2ccccc21
InChIInChI=1S/C30H34N2O/c33-30(18-15-24-13-16-27(17-14-24)26-9-3-1-4-10-26)32-23-25(22-31-19-7-2-8-20-31)21-28-11-5-6-12-29(28)32/h1,3-6,9-14,16-17,25H,2,7-8,15,18-23H2
InChIKeyDFDRFQWUKCKZSO-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.98
Rot. Bonds6

About 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 15542921) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID15542921
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCCCC2)Cc2ccccc21
InChIInChI=1S/C30H34N2O/c33-30(18-15-24-13-16-27(17-14-24)26-9-3-1-4-10-26)32-23-25(22-31-19-7-2-8-20-31)21-28-11-5-6-12-29(28)32/h1,3-6,9-14,16-17,25H,2,7-8,15,18-23H2
InChIKeyDFDRFQWUKCKZSO-UHFFFAOYSA-N
XLogP5.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 15542921) is 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCCCC2)Cc2ccccc21.
What is the InChIKey of 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is DFDRFQWUKCKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c33-30(18-15-24-13-16-27(17-14-24)26-9-3-1-4-10-26)32-23-25(22-31-19-7-2-8-20-31)21-28-11-5-6-12-29(28)32/h1,3-6,9-14,16-17,25H,2,7-8,15,18-23H2.
What are the key properties of 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 438.62 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 15542921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).