8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one

C21H24FN3O — CID 25051126

IUPAC8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1cc2c(c(-c3ccc(F)cc3)n1)C(=O)N(CCN1CCCC1)CC2
InChIInChI=1S/C21H24FN3O/c1-15-14-17-8-11-25(13-12-24-9-2-3-10-24)21(26)19(17)20(23-15)16-4-6-18(22)7-5-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyUGONNTRZHZWKES-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.29
Rot. Bonds4

About 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one

8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 25051126) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID25051126
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1cc2c(c(-c3ccc(F)cc3)n1)C(=O)N(CCN1CCCC1)CC2
InChIInChI=1S/C21H24FN3O/c1-15-14-17-8-11-25(13-12-24-9-2-3-10-24)21(26)19(17)20(23-15)16-4-6-18(22)7-5-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyUGONNTRZHZWKES-UHFFFAOYSA-N
XLogP3.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one (CID 25051126) is 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one is Cc1cc2c(c(-c3ccc(F)cc3)n1)C(=O)N(CCN1CCCC1)CC2.
What is the InChIKey of 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is UGONNTRZHZWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-14-17-8-11-25(13-12-24-9-2-3-10-24)21(26)19(17)20(23-15)16-4-6-18(22)7-5-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one?
8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 353.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-6-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 25051126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).