N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C26H26N2O3 — CID 18270721

IUPACN-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCC2Cc3ccccc3NC2=O)cc1Cc1ccccc1
InChIInChI=1S/C26H26N2O3/c1-31-24-13-12-22(17-21(24)15-18-7-3-2-4-8-18)27-25(29)14-11-20-16-19-9-5-6-10-23(19)28-26(20)30/h2-10,12-13,17,20H,11,14-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyONVYDWXQOAOHDO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.82
Rot. Bonds7

About N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 18270721) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID18270721
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCC2Cc3ccccc3NC2=O)cc1Cc1ccccc1
InChIInChI=1S/C26H26N2O3/c1-31-24-13-12-22(17-21(24)15-18-7-3-2-4-8-18)27-25(29)14-11-20-16-19-9-5-6-10-23(19)28-26(20)30/h2-10,12-13,17,20H,11,14-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyONVYDWXQOAOHDO-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262533
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 18270721) is N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is COc1ccc(NC(=O)CCC2Cc3ccccc3NC2=O)cc1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is ONVYDWXQOAOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-31-24-13-12-22(17-21(24)15-18-7-3-2-4-8-18)27-25(29)14-11-20-16-19-9-5-6-10-23(19)28-26(20)30/h2-10,12-13,17,20H,11,14-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 18270721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).