N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide

C20H22N2O3 — CID 110788637

IUPACN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H22N2O3/c23-19(11-13-25-17-4-2-1-3-5-17)21-12-10-15-6-8-18-16(14-15)7-9-20(24)22-18/h1-6,8,14H,7,9-13H2,(H,21,23)(H,22,24)
InChIKeyKAJVBZKHUUCKCJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide

N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110788637) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
PubChem CID110788637
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H22N2O3/c23-19(11-13-25-17-4-2-1-3-5-17)21-12-10-15-6-8-18-16(14-15)7-9-20(24)22-18/h1-6,8,14H,7,9-13H2,(H,21,23)(H,22,24)
InChIKeyKAJVBZKHUUCKCJ-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
2-(3-methoxyphenyl)-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 110788667
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
N-[2-(2-methoxyphenyl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768444
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide (CID 110788637) is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is KAJVBZKHUUCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(11-13-25-17-4-2-1-3-5-17)21-12-10-15-6-8-18-16(14-15)7-9-20(24)22-18/h1-6,8,14H,7,9-13H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide?
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 338.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110788637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).