N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C20H25N3O — CID 7642453

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H25N3O/c1-2-23-12-6-7-14(23)13-21-20(24)19-15-8-3-4-10-17(15)22-18-11-5-9-16(18)19/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyGFEHAPJBJGCBJZ-AWEZNQCLSA-N
MW323.44 g/mol
LogP2.94
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 7642453) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID7642453
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H25N3O/c1-2-23-12-6-7-14(23)13-21-20(24)19-15-8-3-4-10-17(15)22-18-11-5-9-16(18)19/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyGFEHAPJBJGCBJZ-AWEZNQCLSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 7642453) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CCN1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is GFEHAPJBJGCBJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-23-12-6-7-14(23)13-21-20(24)19-15-8-3-4-10-17(15)22-18-11-5-9-16(18)19/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 7642453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).