1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C23H30N4O2 — CID 5307091

IUPAC1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C23H30N4O2/c1-16-9-13-27(14-10-16)12-6-11-24-22(28)20-15-18-21(25(20)2)17-7-4-5-8-19(17)26(3)23(18)29/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,24,28)
InChIKeyQXIBWINIROMDPX-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.88
Rot. Bonds5

About 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5307091) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5307091
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
InChIInChI=1S/C23H30N4O2/c1-16-9-13-27(14-10-16)12-6-11-24-22(28)20-15-18-21(25(20)2)17-7-4-5-8-19(17)26(3)23(18)29/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,24,28)
InChIKeyQXIBWINIROMDPX-UHFFFAOYSA-N
XLogP2.88
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865258
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054817
N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622402
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-[4-(4-methylpiperidin-1-yl)butyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86990919
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 20857519
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5307091) is 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1.
What is the InChIKey of 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is QXIBWINIROMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-9-13-27(14-10-16)12-6-11-24-22(28)20-15-18-21(25(20)2)17-7-4-5-8-19(17)26(3)23(18)29/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,24,28).
What are the key properties of 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).