3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one

C20H18N2O2 — CID 34904119

IUPAC3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCN(C)c1ccc(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18N2O2/c1-22(2)17-10-7-14(8-11-17)19(23)12-9-16-13-15-5-3-4-6-18(15)21-20(16)24/h3-13H,1-2H3,(H,21,24)/b12-9+
InChIKeyHHPWJTWLGOCSAR-FMIVXFBMSA-N
MW318.38 g/mol
LogP3.49
Rot. Bonds4

About 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 34904119) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID34904119
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESCN(C)c1ccc(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C20H18N2O2/c1-22(2)17-10-7-14(8-11-17)19(23)12-9-16-13-15-5-3-4-6-18(15)21-20(16)24/h3-13H,1-2H3,(H,21,24)/b12-9+
InChIKeyHHPWJTWLGOCSAR-FMIVXFBMSA-N
XLogP3.49
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 34904119) is 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one is CN(C)c1ccc(C(=O)/C=C/c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is HHPWJTWLGOCSAR-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-22(2)17-10-7-14(8-11-17)19(23)12-9-16-13-15-5-3-4-6-18(15)21-20(16)24/h3-13H,1-2H3,(H,21,24)/b12-9+.
What are the key properties of 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 34904119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).