N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide

C23H26N2O2 — CID 4107211

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
SMILESCc1cc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H26N2O2/c1-16-13-20-15-19(23(27)25-21(20)14-17(16)2)11-12-24-22(26)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGODUYIBRAKUZNH-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide (PubChem CID 4107211) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
PubChem CID4107211
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
SMILESCc1cc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C23H26N2O2/c1-16-13-20-15-19(23(27)25-21(20)14-17(16)2)11-12-24-22(26)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGODUYIBRAKUZNH-UHFFFAOYSA-N
XLogP3.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide (CID 4107211) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide is Cc1cc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The InChIKey is GODUYIBRAKUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-13-20-15-19(23(27)25-21(20)14-17(16)2)11-12-24-22(26)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide has a molecular weight of 362.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 4107211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).