2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol

C18H17FN2O2 — CID 86301657

IUPAC2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H17FN2O2/c1-18(2,22)13-7-16-17(20-9-13)8-15(10-21-16)23-11-12-3-5-14(19)6-4-12/h3-10,22H,11H2,1-2H3
InChIKeyJVUPLOMPRQVYBW-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.58
Rot. Bonds4

About 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol

2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol (PubChem CID 86301657) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
PubChem CID86301657
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H17FN2O2/c1-18(2,22)13-7-16-17(20-9-13)8-15(10-21-16)23-11-12-3-5-14(19)6-4-12/h3-10,22H,11H2,1-2H3
InChIKeyJVUPLOMPRQVYBW-UHFFFAOYSA-N
XLogP3.58
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
4-(6-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764366
4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
CID 71816462
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
8-Hydroxy-2-methyl-4-(2-pyridylmethoxy)quinoline
CID 11086702
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine
CID 11616595
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11659585
6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-quinoxaline
CID 14985869
8-(2,6-Difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24897876
4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764197
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
CID 73333522

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol (CID 86301657) is 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol is CC(C)(O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.
What is the InChIKey of 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The InChIKey is JVUPLOMPRQVYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-18(2,22)13-7-16-17(20-9-13)8-15(10-21-16)23-11-12-3-5-14(19)6-4-12/h3-10,22H,11H2,1-2H3.
What are the key properties of 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol has a molecular weight of 312.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol is sourced from PubChem (CID 86301657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).