N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide

C22H24N2O4 — CID 665368

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1
InChIInChI=1S/C22H24N2O4/c1-15(2)24(21(25)14-28-18-7-5-4-6-8-18)13-17-11-16-12-19(27-3)9-10-20(16)23-22(17)26/h4-12,15H,13-14H2,1-3H3,(H,23,26)
InChIKeyUPZHFVWPNONEJJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.35
Rot. Bonds7

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide (PubChem CID 665368) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
PubChem CID665368
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1
InChIInChI=1S/C22H24N2O4/c1-15(2)24(21(25)14-28-18-7-5-4-6-8-18)13-17-11-16-12-19(27-3)9-10-20(16)23-22(17)26/h4-12,15H,13-14H2,1-3H3,(H,23,26)
InChIKeyUPZHFVWPNONEJJ-UHFFFAOYSA-N
XLogP3.35
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide (CID 665368) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide is COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide?
The InChIKey is UPZHFVWPNONEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)24(21(25)14-28-18-7-5-4-6-8-18)13-17-11-16-12-19(27-3)9-10-20(16)23-22(17)26/h4-12,15H,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide has a molecular weight of 380.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 665368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).