N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

C23H24ClN3O3 — CID 53337965

IUPACN-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCOc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3
InChIInChI=1S/C23H24ClN3O3/c1-13-4-5-20(18(24)8-13)25-21(28)12-27-7-6-19-17(11-27)23(29)16-10-15(30-3)9-14(2)22(16)26-19/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyZLYDDGBDKGTTPK-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.80
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (PubChem CID 53337965) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
PubChem CID53337965
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCOc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3
InChIInChI=1S/C23H24ClN3O3/c1-13-4-5-20(18(24)8-13)25-21(28)12-27-7-6-19-17(11-27)23(29)16-10-15(30-3)9-14(2)22(16)26-19/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyZLYDDGBDKGTTPK-UHFFFAOYSA-N
XLogP3.80
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)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

ethyl 4-[[2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetyl]amino]benzoate
CID 50827516
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
N-(2,5-dimethoxyphenyl)-2-(6,9-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53113975
N-(2-chloro-4-methylphenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992890
2-(6,7-dimethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 53114076
N-(2-chloro-4-methylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363572
N-(2-chloro-4-methylphenyl)-2-[6-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000629
N-(2-chloro-4-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720949
N-(3-chloro-4-methoxyphenyl)-2-(5,8-dimethyl-10-oxo-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53113963
N-(2-chloro-4-methylphenyl)-2-[(4-oxo-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135631424
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The IUPAC name of 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) is N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The InChIKey is ZLYDDGBDKGTTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-13-4-5-20(18(24)8-13)25-21(28)12-27-7-6-19-17(11-27)23(29)16-10-15(30-3)9-14(2)22(16)26-19/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide has a molecular weight of 425.92 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(8-methoxy-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 53337965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).