2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one

C18H19N3O2 — CID 53494536

IUPAC2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(C3CC3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C18H19N3O2/c1-23-13-4-2-3-12(9-13)20-16-10-15(11-5-6-11)21-14-7-8-19-18(22)17(14)16/h2-4,9-11H,5-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyKXZHCSXJGDMWSX-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494536) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494536
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(C3CC3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C18H19N3O2/c1-23-13-4-2-3-12(9-13)20-16-10-15(11-5-6-11)21-14-7-8-19-18(22)17(14)16/h2-4,9-11H,5-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyKXZHCSXJGDMWSX-UHFFFAOYSA-N
XLogP3.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-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 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494536) is 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(C3CC3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is KXZHCSXJGDMWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-13-4-2-3-12(9-13)20-16-10-15(11-5-6-11)21-14-7-8-19-18(22)17(14)16/h2-4,9-11H,5-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 309.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).