7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one

C23H25N3O2 — CID 145256295

IUPAC7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC=C/C=C(\C=N\C)Cc1cc2c(cc1-c1cc(C)c(=O)n(C)c1)NC(=O)CC2
InChIInChI=1S/C23H25N3O2/c1-5-6-16(13-24-3)10-18-11-17-7-8-22(27)25-21(17)12-20(18)19-9-15(2)23(28)26(4)14-19/h5-6,9,11-14H,1,7-8,10H2,2-4H3,(H,25,27)/b16-6-,24-13+
InChIKeyPJQQVCBVRRFDLX-JWGBBTRKSA-N
MW375.47 g/mol
LogP3.60
Rot. Bonds5

About 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 145256295) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID145256295
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC=C/C=C(\C=N\C)Cc1cc2c(cc1-c1cc(C)c(=O)n(C)c1)NC(=O)CC2
InChIInChI=1S/C23H25N3O2/c1-5-6-16(13-24-3)10-18-11-17-7-8-22(27)25-21(17)12-20(18)19-9-15(2)23(28)26(4)14-19/h5-6,9,11-14H,1,7-8,10H2,2-4H3,(H,25,27)/b16-6-,24-13+
InChIKeyPJQQVCBVRRFDLX-JWGBBTRKSA-N
XLogP3.60
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587514
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
CID 126572411
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 147626110
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
5-[4-(bromomethyl)-2,5-dimethylphenyl]-1,3-dimethylpyridin-2-one
CID 134247860
6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 58318174
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 172570074
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
6-[2-[[3-amino-2-(methyliminomethyl)prop-2-enyl]-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 174012016

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one (CID 145256295) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one is C=C/C=C(\C=N\C)Cc1cc2c(cc1-c1cc(C)c(=O)n(C)c1)NC(=O)CC2.
What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PJQQVCBVRRFDLX-JWGBBTRKSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-5-6-16(13-24-3)10-18-11-17-7-8-22(27)25-21(17)12-20(18)19-9-15(2)23(28)26(4)14-19/h5-6,9,11-14H,1,7-8,10H2,2-4H3,(H,25,27)/b16-6-,24-13+.
What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one?
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-[(2Z)-2-(methyliminomethyl)penta-2,4-dienyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 145256295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).