3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide

C22H24N2O2 — CID 110331725

IUPAC3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCc1cc(C)c2cc(CCC(=O)NCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O2/c1-15-12-16(2)19-14-18(22(26)24-20(19)13-15)8-9-21(25)23-11-10-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWJDJOOAHWJTUDC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds6

About 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide

3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 110331725) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID110331725
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCc1cc(C)c2cc(CCC(=O)NCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O2/c1-15-12-16(2)19-14-18(22(26)24-20(19)13-15)8-9-21(25)23-11-10-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWJDJOOAHWJTUDC-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-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110414004
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide (CID 110331725) is 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide is Cc1cc(C)c2cc(CCC(=O)NCCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is WJDJOOAHWJTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-12-16(2)19-14-18(22(26)24-20(19)13-15)8-9-21(25)23-11-10-17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide?
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide 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 3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 110331725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).