N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

C22H24N2O2 — CID 5121477

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCc3ccccc3)cc12
InChIInChI=1S/C22H24N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPOAQMTSPXUMSEA-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 5121477) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
PubChem CID5121477
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCc3ccccc3)cc12
InChIInChI=1S/C22H24N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPOAQMTSPXUMSEA-UHFFFAOYSA-N
XLogP3.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 3672068
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
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]-3,5-dimethylbenzamide
CID 3460766
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 4989152
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136945
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (CID 5121477) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCc3ccccc3)cc12.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is POAQMTSPXUMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 5121477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).