3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

C23H21N3O4 — CID 158000445

IUPAC3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C
InChIInChI=1S/C23H21N3O4/c1-24-22(28)20-21(30-3)18-19(25(20)2)15-11-7-8-12-16(15)26(23(18)29)13-17(27)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyFDRAFESAHKQQOO-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.74
Rot. Bonds5

About 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 158000445) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID158000445
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C
InChIInChI=1S/C23H21N3O4/c1-24-22(28)20-21(30-3)18-19(25(20)2)15-11-7-8-12-16(15)26(23(18)29)13-17(27)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyFDRAFESAHKQQOO-UHFFFAOYSA-N
XLogP2.74
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide 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

3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 70973256
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035
N-[(1S,2S)-2-aminocyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893032
N-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
tert-butyl-[1-(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)piperidin-4-yl]carbamic acid
CID 66892968
tert-butyl 2-[3-[(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]acetate
CID 58092822
3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
CID 88591959
3-methoxy-N-(4-methylpentyl)-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 58092844
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856764

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (CID 158000445) is 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is CNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C.
What is the InChIKey of 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is FDRAFESAHKQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-24-22(28)20-21(30-3)18-19(25(20)2)15-11-7-8-12-16(15)26(23(18)29)13-17(27)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,24,28).
What are the key properties of 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 158000445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).