2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C23H24ClN3O3 — CID 53113990

IUPAC2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCc2[nH]c3c(C)c(Cl)ccc3c(=O)c2C1
InChIInChI=1S/C23H24ClN3O3/c1-14-18(24)8-7-16-22(14)26-19-9-10-27(12-17(19)23(16)29)13-21(28)25-11-15-5-3-4-6-20(15)30-2/h3-8H,9-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRGVVRIZYCPRMBQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.17
Rot. Bonds5

About 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 53113990) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID53113990
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCc2[nH]c3c(C)c(Cl)ccc3c(=O)c2C1
InChIInChI=1S/C23H24ClN3O3/c1-14-18(24)8-7-16-22(14)26-19-9-10-27(12-17(19)23(16)29)13-21(28)25-11-15-5-3-4-6-20(15)30-2/h3-8H,9-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRGVVRIZYCPRMBQ-UHFFFAOYSA-N
XLogP3.17
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-phenylacetamide
CID 53114067
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
N-(3-chloro-4-methoxyphenyl)-2-(8-fluoro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53114170
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53337965
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-(2,5-dimethoxyphenyl)-2-(6,9-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53113975
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
2-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 74239322
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 53113990) is 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCc2[nH]c3c(C)c(Cl)ccc3c(=O)c2C1.
What is the InChIKey of 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is RGVVRIZYCPRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14-18(24)8-7-16-22(14)26-19-9-10-27(12-17(19)23(16)29)13-21(28)25-11-15-5-3-4-6-20(15)30-2/h3-8H,9-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 425.92 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).