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

C17H20N4O2 — CID 3706127

IUPACN-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C
InChIInChI=1S/C17H20N4O2/c1-20(2)9-8-18-17(23)14-10-12-15(21(14)3)11-6-4-5-7-13(11)19-16(12)22/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyKPXDNJKZYPMLRH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.31
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 3706127) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID3706127
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C
InChIInChI=1S/C17H20N4O2/c1-20(2)9-8-18-17(23)14-10-12-15(21(14)3)11-6-4-5-7-13(11)19-16(12)22/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyKPXDNJKZYPMLRH-UHFFFAOYSA-N
XLogP1.31
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 3706127) is N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is CN(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is KPXDNJKZYPMLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(2)9-8-18-17(23)14-10-12-15(21(14)3)11-6-4-5-7-13(11)19-16(12)22/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 3706127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).