(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine

C24H19FN4O — CID 87522740

IUPAC(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine
SMILESC=C/C(OC)=c1/cncc/c1=C(/N)c1cc(-c2ccccc2F)nc2ncccc12
InChIInChI=1S/C24H19FN4O/c1-3-22(30-2)19-14-27-12-10-15(19)23(26)18-13-21(17-7-4-5-9-20(17)25)29-24-16(18)8-6-11-28-24/h3-14H,1,26H2,2H3/b22-19+,23-15-
InChIKeyMNMQLZLUUMCORR-HRQFHKGFSA-N
MW398.44 g/mol
LogP2.89
Rot. Bonds4

About (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine

(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine (PubChem CID 87522740) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine.

Molecular Properties

Compound Name(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine
PubChem CID87522740
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine
SMILESC=C/C(OC)=c1/cncc/c1=C(/N)c1cc(-c2ccccc2F)nc2ncccc12
InChIInChI=1S/C24H19FN4O/c1-3-22(30-2)19-14-27-12-10-15(19)23(26)18-13-21(17-7-4-5-9-20(17)25)29-24-16(18)8-6-11-28-24/h3-14H,1,26H2,2H3/b22-19+,23-15-
InChIKeyMNMQLZLUUMCORR-HRQFHKGFSA-N
XLogP2.89
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine?
The IUPAC name of (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine (CID 87522740) is (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine.
What is the SMILES notation for (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine?
The canonical SMILES for (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine is C=C/C(OC)=c1/cncc/c1=C(/N)c1cc(-c2ccccc2F)nc2ncccc12.
What is the InChIKey of (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine?
The InChIKey is MNMQLZLUUMCORR-HRQFHKGFSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-3-22(30-2)19-14-27-12-10-15(19)23(26)18-13-21(17-7-4-5-9-20(17)25)29-24-16(18)8-6-11-28-24/h3-14H,1,26H2,2H3/b22-19+,23-15-.
What are the key properties of (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine?
(Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine has a molecular weight of 398.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-[(3Z)-3-(1-methoxyprop-2-enylidene)-4-pyridinylidene]methanamine is sourced from PubChem (CID 87522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).