N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

C21H22N2O3 — CID 1389745

IUPACN-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)CC)cc1
InChIInChI=1S/C21H22N2O3/c1-3-20(24)23(17-9-11-18(12-10-17)26-4-2)14-16-13-15-7-5-6-8-19(15)22-21(16)25/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyFMXLOUQFOONHAR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.87
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 1389745) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID1389745
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)CC)cc1
InChIInChI=1S/C21H22N2O3/c1-3-20(24)23(17-9-11-18(12-10-17)26-4-2)14-16-13-15-7-5-6-8-19(15)22-21(16)25/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyFMXLOUQFOONHAR-UHFFFAOYSA-N
XLogP3.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1417601
4-chloro-N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1388201
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 1427665
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-(3,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 833965
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 3283896
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 23607643
N-(4-ethoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1417965
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2066349

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 1389745) is N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is FMXLOUQFOONHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-20(24)23(17-9-11-18(12-10-17)26-4-2)14-16-13-15-7-5-6-8-19(15)22-21(16)25/h5-13H,3-4,14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 1389745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).