N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

C22H24N2O3 — CID 110602465

IUPACN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C22H24N2O3/c1-15-8-10-19(27-2)21-18(15)14-17(22(26)24-21)12-13-23-20(25)11-9-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySCHAMYZEYPCRGZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide

N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 110602465) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
PubChem CID110602465
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C22H24N2O3/c1-15-8-10-19(27-2)21-18(15)14-17(22(26)24-21)12-13-23-20(25)11-9-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySCHAMYZEYPCRGZ-UHFFFAOYSA-N
XLogP3.14
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide (CID 110602465) is N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is COc1ccc(C)c2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is SCHAMYZEYPCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-8-10-19(27-2)21-18(15)14-17(22(26)24-21)12-13-23-20(25)11-9-16-6-4-3-5-7-16/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide?
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110602465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).