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

C22H28N4O2 — CID 5308405

IUPACN-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C22H28N4O2/c1-24-19(21(27)23-11-14-26-12-7-3-4-8-13-26)15-17-20(24)16-9-5-6-10-18(16)25(2)22(17)28/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyLGNCXAFZGQXOJZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.64
Rot. Bonds4

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

N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5308405) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5308405
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C22H28N4O2/c1-24-19(21(27)23-11-14-26-12-7-3-4-8-13-26)15-17-20(24)16-9-5-6-10-18(16)25(2)22(17)28/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyLGNCXAFZGQXOJZ-UHFFFAOYSA-N
XLogP2.64
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5308405) is N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is LGNCXAFZGQXOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24-19(21(27)23-11-14-26-12-7-3-4-8-13-26)15-17-20(24)16-9-5-6-10-18(16)25(2)22(17)28/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).