7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one

C18H15F2N3O2 — CID 18994580

IUPAC7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one
SMILESCn1cc(C(=O)N2CCCC2)c(=O)c2cc3cc(F)c(F)cc3nc21
InChIInChI=1S/C18H15F2N3O2/c1-22-9-12(18(25)23-4-2-3-5-23)16(24)11-6-10-7-13(19)14(20)8-15(10)21-17(11)22/h6-9H,2-5H2,1H3
InChIKeyZFXXVJAWWMENBZ-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.60
Rot. Bonds1

About 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one

7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one (PubChem CID 18994580) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one
PubChem CID18994580
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one
SMILESCn1cc(C(=O)N2CCCC2)c(=O)c2cc3cc(F)c(F)cc3nc21
InChIInChI=1S/C18H15F2N3O2/c1-22-9-12(18(25)23-4-2-3-5-23)16(24)11-6-10-7-13(19)14(20)8-15(10)21-17(11)22/h6-9H,2-5H2,1H3
InChIKeyZFXXVJAWWMENBZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-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 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one?
The IUPAC name of 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one (CID 18994580) is 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one.
What is the SMILES notation for 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one?
The canonical SMILES for 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one is Cn1cc(C(=O)N2CCCC2)c(=O)c2cc3cc(F)c(F)cc3nc21.
What is the InChIKey of 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one?
The InChIKey is ZFXXVJAWWMENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-22-9-12(18(25)23-4-2-3-5-23)16(24)11-6-10-7-13(19)14(20)8-15(10)21-17(11)22/h6-9H,2-5H2,1H3.
What are the key properties of 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one?
7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one has a molecular weight of 343.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-1-methyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,8]naphthyridin-4-one is sourced from PubChem (CID 18994580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).