N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide

C26H26N2O3 — CID 16926847

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-18(2)31-23-12-8-20(9-13-23)26(30)27-22-11-14-24-21(16-22)10-15-25(29)28(24)17-19-6-4-3-5-7-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,27,30)
InChIKeyDRGVZZAOHGZWDG-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.21
Rot. Bonds6

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide (PubChem CID 16926847) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
PubChem CID16926847
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-18(2)31-23-12-8-20(9-13-23)26(30)27-22-11-14-24-21(16-22)10-15-25(29)28(24)17-19-6-4-3-5-7-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,27,30)
InChIKeyDRGVZZAOHGZWDG-UHFFFAOYSA-N
XLogP5.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
CID 16926904
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide (CID 16926847) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide?
The InChIKey is DRGVZZAOHGZWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18(2)31-23-12-8-20(9-13-23)26(30)27-22-11-14-24-21(16-22)10-15-25(29)28(24)17-19-6-4-3-5-7-19/h3-9,11-14,16,18H,10,15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16926847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).