N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C21H25N3O2 — CID 71896095

IUPACN-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H25N3O2/c25-19-11-2-1-5-13-24(19)14-12-22-21(26)20-15-7-3-4-9-17(15)23-18-10-6-8-16(18)20/h3-4,7,9H,1-2,5-6,8,10-14H2,(H,22,26)
InChIKeyDLBUVTIUDVRMFQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 71896095) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID71896095
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C21H25N3O2/c25-19-11-2-1-5-13-24(19)14-12-22-21(26)20-15-7-3-4-9-17(15)23-18-10-6-8-16(18)20/h3-4,7,9H,1-2,5-6,8,10-14H2,(H,22,26)
InChIKeyDLBUVTIUDVRMFQ-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 71896095) is N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(NCCN1CCCCCC1=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is DLBUVTIUDVRMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19-11-2-1-5-13-24(19)14-12-22-21(26)20-15-7-3-4-9-17(15)23-18-10-6-8-16(18)20/h3-4,7,9H,1-2,5-6,8,10-14H2,(H,22,26).
What are the key properties of N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 71896095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).