6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane

C30H41NO2 — CID 91498028

IUPAC6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)c2cc(C(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C22H17NO2.4C2H6/c24-21-14-18(15-7-3-1-4-8-15)19-13-17(11-12-20(19)23-21)22(25)16-9-5-2-6-10-16;4*1-2/h1-13,18H,14H2,(H,23,24);4*1-2H3
InChIKeySPWFXIVPLFZSSN-UHFFFAOYSA-N
MW447.66 g/mol
LogP8.50
Rot. Bonds3

About 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane

6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane (PubChem CID 91498028) has the molecular formula C30H41NO2 and a molecular weight of 447.66 g/mol. Its IUPAC name is 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane.

Molecular Properties

Compound Name6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
PubChem CID91498028
Molecular FormulaC30H41NO2
Molecular Weight447.66 g/mol
Exact Mass447.31
IUPAC Name6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
SMILESCC.CC.CC.CC.O=C1CC(c2ccccc2)c2cc(C(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C22H17NO2.4C2H6/c24-21-14-18(15-7-3-1-4-8-15)19-13-17(11-12-20(19)23-21)22(25)16-9-5-2-6-10-16;4*1-2/h1-13,18H,14H2,(H,23,24);4*1-2H3
InChIKeySPWFXIVPLFZSSN-UHFFFAOYSA-N
XLogP8.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
4-[(9R)-7-oxo-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-9-yl]benzoic acid
CID 136676705
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(5S)-4-(4-benzoylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159627

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The IUPAC name of 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane (CID 91498028) is 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane.
What is the SMILES notation for 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The canonical SMILES for 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane is CC.CC.CC.CC.O=C1CC(c2ccccc2)c2cc(C(=O)c3ccccc3)ccc2N1.
What is the InChIKey of 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
The InChIKey is SPWFXIVPLFZSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2.4C2H6/c24-21-14-18(15-7-3-1-4-8-15)19-13-17(11-12-20(19)23-21)22(25)16-9-5-2-6-10-16;4*1-2/h1-13,18H,14H2,(H,23,24);4*1-2H3.
What are the key properties of 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane?
6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane has a molecular weight of 447.66 g/mol, XLogP of 8.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane is sourced from PubChem (CID 91498028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).