9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one

C23H14ClF3N4O2 — CID 11684248

IUPAC9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one
SMILESCOCc1nc2nc(-c3ncccc3C(F)(F)F)ccc2c2[nH]c3ccc(Cl)cc3c(=O)c12
InChIInChI=1S/C23H14ClF3N4O2/c1-33-10-17-18-19(29-15-6-4-11(24)9-13(15)21(18)32)12-5-7-16(30-22(12)31-17)20-14(23(25,26)27)3-2-8-28-20/h2-9H,10H2,1H3,(H,29,32)
InChIKeyOKSAYRBNSVUQNC-UHFFFAOYSA-N
MW470.84 g/mol
LogP5.51
Rot. Bonds3

About 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one

9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one (PubChem CID 11684248) has the molecular formula C23H14ClF3N4O2 and a molecular weight of 470.84 g/mol. Its IUPAC name is 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one.

Molecular Properties

Compound Name9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one
PubChem CID11684248
Molecular FormulaC23H14ClF3N4O2
Molecular Weight470.84 g/mol
Exact Mass470.08
IUPAC Name9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one
SMILESCOCc1nc2nc(-c3ncccc3C(F)(F)F)ccc2c2[nH]c3ccc(Cl)cc3c(=O)c12
InChIInChI=1S/C23H14ClF3N4O2/c1-33-10-17-18-19(29-15-6-4-11(24)9-13(15)21(18)32)12-5-7-16(30-22(12)31-17)20-14(23(25,26)27)3-2-8-28-20/h2-9H,10H2,1H3,(H,29,32)
InChIKeyOKSAYRBNSVUQNC-UHFFFAOYSA-N
XLogP5.51
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one 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 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one?
The IUPAC name of 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one (CID 11684248) is 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one.
What is the SMILES notation for 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one?
The canonical SMILES for 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one is COCc1nc2nc(-c3ncccc3C(F)(F)F)ccc2c2[nH]c3ccc(Cl)cc3c(=O)c12.
What is the InChIKey of 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one?
The InChIKey is OKSAYRBNSVUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4O2/c1-33-10-17-18-19(29-15-6-4-11(24)9-13(15)21(18)32)12-5-7-16(30-22(12)31-17)20-14(23(25,26)27)3-2-8-28-20/h2-9H,10H2,1H3,(H,29,32).
What are the key properties of 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one?
9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one has a molecular weight of 470.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one is sourced from PubChem (CID 11684248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).