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

C21H26N4O2 — CID 5307663

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C21H26N4O2/c1-4-25-11-7-8-14(25)13-22-20(26)18-12-16-19(23(18)2)15-9-5-6-10-17(15)24(3)21(16)27/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,22,26)
InChIKeyOMRGMEMGXQGGKE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.24
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5307663) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5307663
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C21H26N4O2/c1-4-25-11-7-8-14(25)13-22-20(26)18-12-16-19(23(18)2)15-9-5-6-10-17(15)24(3)21(16)27/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,22,26)
InChIKeyOMRGMEMGXQGGKE-UHFFFAOYSA-N
XLogP2.24
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5307663) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is CCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is OMRGMEMGXQGGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-25-11-7-8-14(25)13-22-20(26)18-12-16-19(23(18)2)15-9-5-6-10-17(15)24(3)21(16)27/h5-6,9-10,12,14H,4,7-8,11,13H2,1-3H3,(H,22,26).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).