3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

C26H28N4O4 — CID 70973256

IUPAC3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCNCCCNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C
InChIInChI=1S/C26H28N4O4/c1-27-14-9-15-28-25(32)23-24(34-3)21-22(29(23)2)18-12-7-8-13-19(18)30(26(21)33)16-20(31)17-10-5-4-6-11-17/h4-8,10-13,27H,9,14-16H2,1-3H3,(H,28,32)
InChIKeyMASQUJSPNCKNTI-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.72
Rot. Bonds9

About 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 70973256) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID70973256
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCNCCCNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C
InChIInChI=1S/C26H28N4O4/c1-27-14-9-15-28-25(32)23-24(34-3)21-22(29(23)2)18-12-7-8-13-19(18)30(26(21)33)16-20(31)17-10-5-4-6-11-17/h4-8,10-13,27H,9,14-16H2,1-3H3,(H,28,32)
InChIKeyMASQUJSPNCKNTI-UHFFFAOYSA-N
XLogP2.72
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 158000445
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-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
N-[(1S,2S)-2-aminocyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893032
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035
tert-butyl 2-[3-[(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]acetate
CID 58092822
tert-butyl-[1-(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)piperidin-4-yl]carbamic acid
CID 66892968
3-methoxy-N-(4-methylpentyl)-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 58092844
3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
CID 88591959
N-[2-(dimethylamino)ethyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892835
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (CID 70973256) is 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is CNCCCNC(=O)c1c(OC)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C.
What is the InChIKey of 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is MASQUJSPNCKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-27-14-9-15-28-25(32)23-24(34-3)21-22(29(23)2)18-12-7-8-13-19(18)30(26(21)33)16-20(31)17-10-5-4-6-11-17/h4-8,10-13,27H,9,14-16H2,1-3H3,(H,28,32).
What are the key properties of 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 70973256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).