2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide

C22H22N4O4 — CID 53087177

IUPAC2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(=O)c(C(=O)N3CCOCC3)cn(CC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C22H22N4O4/c1-15-7-8-17-20(28)18(22(29)25-9-11-30-12-10-25)13-26(21(17)23-15)14-19(27)24-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyTYJRNHGYUHMPLG-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.82
Rot. Bonds4

About 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide

2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide (PubChem CID 53087177) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
PubChem CID53087177
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(=O)c(C(=O)N3CCOCC3)cn(CC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C22H22N4O4/c1-15-7-8-17-20(28)18(22(29)25-9-11-30-12-10-25)13-26(21(17)23-15)14-19(27)24-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyTYJRNHGYUHMPLG-UHFFFAOYSA-N
XLogP1.82
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 53087179
2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 53087039
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
1-ethyl-7-methyl-4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 654366
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929636

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide (CID 53087177) is 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide is Cc1ccc2c(=O)c(C(=O)N3CCOCC3)cn(CC(=O)Nc3ccccc3)c2n1.
What is the InChIKey of 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide?
The InChIKey is TYJRNHGYUHMPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-7-8-17-20(28)18(22(29)25-9-11-30-12-10-25)13-26(21(17)23-15)14-19(27)24-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide?
2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide has a molecular weight of 406.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53087177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).