2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one

C24H22N2O2 — CID 46996709

IUPAC2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one
SMILESC=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C24H22N2O2/c1-2-9-18-12-8-15-22(17-10-4-3-5-11-17)26(18)24(28)21-16-23(27)19-13-6-7-14-20(19)25-21/h2-8,10-11,13-16,18,22H,1,9,12H2,(H,25,27)/t18-,22+/m1/s1
InChIKeyXHFQOMLMIXFMAH-GCJKJVERSA-N
MW370.45 g/mol
LogP4.62
Rot. Bonds4

About 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one

2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 46996709) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one
PubChem CID46996709
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one
SMILESC=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C24H22N2O2/c1-2-9-18-12-8-15-22(17-10-4-3-5-11-17)26(18)24(28)21-16-23(27)19-13-6-7-14-20(19)25-21/h2-8,10-11,13-16,18,22H,1,9,12H2,(H,25,27)/t18-,22+/m1/s1
InChIKeyXHFQOMLMIXFMAH-GCJKJVERSA-N
XLogP4.62
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one (CID 46996709) is 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one is C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is XHFQOMLMIXFMAH-GCJKJVERSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-9-18-12-8-15-22(17-10-4-3-5-11-17)26(18)24(28)21-16-23(27)19-13-6-7-14-20(19)25-21/h2-8,10-11,13-16,18,22H,1,9,12H2,(H,25,27)/t18-,22+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one?
2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 370.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-phenyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 46996709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).