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

C18H16F2N2O2 — CID 86301817

IUPAC2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C18H16F2N2O2/c1-18(2,23)12-6-16-17(21-8-12)7-13(9-22-16)24-10-11-3-4-14(19)15(20)5-11/h3-9,23H,10H2,1-2H3
InChIKeyPMVXEGFIJIEKDV-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.71
Rot. Bonds4

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

2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol (PubChem CID 86301817) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
PubChem CID86301817
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C18H16F2N2O2/c1-18(2,23)12-6-16-17(21-8-12)7-13(9-22-16)24-10-11-3-4-14(19)15(20)5-11/h3-9,23H,10H2,1-2H3
InChIKeyPMVXEGFIJIEKDV-UHFFFAOYSA-N
XLogP3.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol (CID 86301817) is 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol is CC(C)(O)c1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.
What is the InChIKey of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
The InChIKey is PMVXEGFIJIEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-18(2,23)12-6-16-17(21-8-12)7-13(9-22-16)24-10-11-3-4-14(19)15(20)5-11/h3-9,23H,10H2,1-2H3.
What are the key properties of 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol?
2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol has a molecular weight of 330.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol is sourced from PubChem (CID 86301817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).