3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine

C17H18F2N2 — CID 91282569

IUPAC3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine
SMILESCCN1C=CC2=C(C1)C(C)N=C(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C17H18F2N2/c1-3-21-7-6-12-9-17(20-11(2)14(12)10-21)13-4-5-15(18)16(19)8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyIAZKITIDCORWDK-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.69
Rot. Bonds2

About 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine

3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine (PubChem CID 91282569) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine
PubChem CID91282569
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine
SMILESCCN1C=CC2=C(C1)C(C)N=C(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C17H18F2N2/c1-3-21-7-6-12-9-17(20-11(2)14(12)10-21)13-4-5-15(18)16(19)8-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyIAZKITIDCORWDK-UHFFFAOYSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine (CID 91282569) is 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine is CCN1C=CC2=C(C1)C(C)N=C(c1ccc(F)c(F)c1)C2.
What is the InChIKey of 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine?
The InChIKey is IAZKITIDCORWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-3-21-7-6-12-9-17(20-11(2)14(12)10-21)13-4-5-15(18)16(19)8-13/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine?
3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine has a molecular weight of 288.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 91282569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).