N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide

C21H22N2O3 — CID 110325288

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)CCOc3ccccc3)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-10-15(2)20-16(11-14)12-17(21(25)23-20)13-22-19(24)8-9-26-18-6-4-3-5-7-18/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyISEQUGRBSJLGHY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds6

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide (PubChem CID 110325288) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
PubChem CID110325288
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)CCOc3ccccc3)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-10-15(2)20-16(11-14)12-17(21(25)23-20)13-22-19(24)8-9-26-18-6-4-3-5-7-18/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyISEQUGRBSJLGHY-UHFFFAOYSA-N
XLogP3.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
CID 110326207
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110325268
6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 131931591
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-4-phenoxybutanamide
CID 110325095
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide (CID 110325288) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide is Cc1cc(C)c2[nH]c(=O)c(CNC(=O)CCOc3ccccc3)cc2c1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide?
The InChIKey is ISEQUGRBSJLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-10-15(2)20-16(11-14)12-17(21(25)23-20)13-22-19(24)8-9-26-18-6-4-3-5-7-18/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).