N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

C20H18ClN3O2 — CID 167998258

IUPACN-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESO=C(CN1CCC2=Nc3ccccc3C(=O)C2C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c21-13-5-7-14(8-6-13)22-19(25)12-24-10-9-18-16(11-24)20(26)15-3-1-2-4-17(15)23-18/h1-8,16H,9-12H2,(H,22,25)
InChIKeyMNWMWIPCBNJCHS-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.57
Rot. Bonds3

About N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (PubChem CID 167998258) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
PubChem CID167998258
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESO=C(CN1CCC2=Nc3ccccc3C(=O)C2C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c21-13-5-7-14(8-6-13)22-19(25)12-24-10-9-18-16(11-24)20(26)15-3-1-2-4-17(15)23-18/h1-8,16H,9-12H2,(H,22,25)
InChIKeyMNWMWIPCBNJCHS-UHFFFAOYSA-N
XLogP3.57
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (CID 167998258) is N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is O=C(CN1CCC2=Nc3ccccc3C(=O)C2C1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The InChIKey is MNWMWIPCBNJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-13-5-7-14(8-6-13)22-19(25)12-24-10-9-18-16(11-24)20(26)15-3-1-2-4-17(15)23-18/h1-8,16H,9-12H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide has a molecular weight of 367.84 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 167998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).