1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide

C20H28N2O3 — CID 97228633

IUPAC1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CCCC1
InChIInChI=1S/C20H28N2O3/c1-2-25-12-11-20(9-5-6-10-20)19(24)21-14-15-13-18(23)22-17-8-4-3-7-16(15)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyYXSIPLFDYPBESM-HNNXBMFYSA-N
MW344.46 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide

1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 97228633) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID97228633
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CCCC1
InChIInChI=1S/C20H28N2O3/c1-2-25-12-11-20(9-5-6-10-20)19(24)21-14-15-13-18(23)22-17-8-4-3-7-16(15)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyYXSIPLFDYPBESM-HNNXBMFYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide (CID 97228633) is 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide is CCOCCC1(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)CCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is YXSIPLFDYPBESM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-25-12-11-20(9-5-6-10-20)19(24)21-14-15-13-18(23)22-17-8-4-3-7-16(15)17/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide?
1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 97228633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).