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

C22H24N2O2 — CID 4112654

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
SMILESCc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O2/c1-16-10-11-18-15-19(22(26)24-20(18)14-16)12-13-23-21(25)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyTWVZKHORFLOONY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.52
Rot. Bonds7

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

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide (PubChem CID 4112654) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
PubChem CID4112654
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
SMILESCc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O2/c1-16-10-11-18-15-19(22(26)24-20(18)14-16)12-13-23-21(25)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyTWVZKHORFLOONY-UHFFFAOYSA-N
XLogP3.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide (CID 4112654) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide is Cc1ccc2cc(CCNC(=O)CCCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
The InChIKey is TWVZKHORFLOONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-10-11-18-15-19(22(26)24-20(18)14-16)12-13-23-21(25)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide has a molecular weight of 348.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 4112654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).