4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide

C23H26N2O2 — CID 110414901

IUPAC4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCC(C)(C)c3ccccc3)cc2c1
InChIInChI=1S/C23H26N2O2/c1-16-9-10-20-17(13-16)14-18(22(27)25-20)15-24-21(26)11-12-23(2,3)19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXNIOCGHUZWHSPZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.21
Rot. Bonds6

About 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide

4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide (PubChem CID 110414901) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide.

Molecular Properties

Compound Name4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
PubChem CID110414901
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCC(C)(C)c3ccccc3)cc2c1
InChIInChI=1S/C23H26N2O2/c1-16-9-10-20-17(13-16)14-18(22(27)25-20)15-24-21(26)11-12-23(2,3)19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXNIOCGHUZWHSPZ-UHFFFAOYSA-N
XLogP4.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide?
The IUPAC name of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide (CID 110414901) is 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide.
What is the SMILES notation for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide?
The canonical SMILES for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide is Cc1ccc2[nH]c(=O)c(CNC(=O)CCC(C)(C)c3ccccc3)cc2c1.
What is the InChIKey of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide?
The InChIKey is XNIOCGHUZWHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-9-10-20-17(13-16)14-18(22(27)25-20)15-24-21(26)11-12-23(2,3)19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide?
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide has a molecular weight of 362.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide is sourced from PubChem (CID 110414901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).