2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C21H19FN2O — CID 126618832

IUPAC2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1
InChIInChI=1S/C21H19FN2O/c22-18-12-16(19-8-6-17-13-23-11-10-20(17)24-19)7-9-21(18)25-14-15-4-2-1-3-5-15/h1-9,12,23H,10-11,13-14H2
InChIKeyRPVQAOWVKKCPMJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 126618832) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID126618832
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1
InChIInChI=1S/C21H19FN2O/c22-18-12-16(19-8-6-17-13-23-11-10-20(17)24-19)7-9-21(18)25-14-15-4-2-1-3-5-15/h1-9,12,23H,10-11,13-14H2
InChIKeyRPVQAOWVKKCPMJ-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126618872
2-(2-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126619037
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
CID 167980981
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 126618832) is 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is Fc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is RPVQAOWVKKCPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-18-12-16(19-8-6-17-13-23-11-10-20(17)24-19)7-9-21(18)25-14-15-4-2-1-3-5-15/h1-9,12,23H,10-11,13-14H2.
What are the key properties of 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 334.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 126618832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).