N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C24H26N4O2 — CID 20857417

IUPACN-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-3-28(17-10-5-4-6-11-17)15-9-14-25-24(30)21-16-19-22(27(21)2)18-12-7-8-13-20(18)26-23(19)29/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyIDMYEJIHOQQXOC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.67
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 20857417) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID20857417
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-3-28(17-10-5-4-6-11-17)15-9-14-25-24(30)21-16-19-22(27(21)2)18-12-7-8-13-20(18)26-23(19)29/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyIDMYEJIHOQQXOC-UHFFFAOYSA-N
XLogP3.67
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 20857417) is N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is CCN(CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is IDMYEJIHOQQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-28(17-10-5-4-6-11-17)15-9-14-25-24(30)21-16-19-22(27(21)2)18-12-7-8-13-20(18)26-23(19)29/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).