N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide

C22H24N2O3 — CID 110326207

IUPACN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
SMILESCc1ccc2cc(CCNC(=O)CCOc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H24N2O3/c1-15-8-9-17-14-18(22(26)24-21(17)16(15)2)10-12-23-20(25)11-13-27-19-6-4-3-5-7-19/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySHYNQOORYQDBHF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110326207) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
PubChem CID110326207
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
SMILESCc1ccc2cc(CCNC(=O)CCOc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H24N2O3/c1-15-8-9-17-14-18(22(26)24-21(17)16(15)2)10-12-23-20(25)11-13-27-19-6-4-3-5-7-19/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySHYNQOORYQDBHF-UHFFFAOYSA-N
XLogP3.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110415481
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080105
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110609224
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide (CID 110326207) is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide is Cc1ccc2cc(CCNC(=O)CCOc3ccccc3)c(=O)[nH]c2c1C.
What is the InChIKey of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is SHYNQOORYQDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-8-9-17-14-18(22(26)24-21(17)16(15)2)10-12-23-20(25)11-13-27-19-6-4-3-5-7-19/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide?
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 364.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110326207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).