N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide

C22H24N2O2 — CID 860666

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C22H24N2O2/c1-3-21(25)24(12-11-17-7-5-4-6-8-17)15-19-14-18-13-16(2)9-10-20(18)23-22(19)26/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,23,26)
InChIKeyINOISHSPQRFJPO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds6

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide (PubChem CID 860666) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
PubChem CID860666
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C22H24N2O2/c1-3-21(25)24(12-11-17-7-5-4-6-8-17)15-19-14-18-13-16(2)9-10-20(18)23-22(19)26/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,23,26)
InChIKeyINOISHSPQRFJPO-UHFFFAOYSA-N
XLogP3.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide (CID 860666) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The InChIKey is INOISHSPQRFJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-21(25)24(12-11-17-7-5-4-6-8-17)15-19-14-18-13-16(2)9-10-20(18)23-22(19)26/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,23,26).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 860666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).