6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one

C19H19FN2O2 — CID 57415460

IUPAC6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OCc3cccc(F)c3)nc2CCN1CC1CC1
InChIInChI=1S/C19H19FN2O2/c20-15-3-1-2-14(10-15)12-24-18-7-6-16-17(21-18)8-9-22(19(16)23)11-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9,11-12H2
InChIKeyHLTIKFPRQFJBBF-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.21
Rot. Bonds5

About 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one

6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 57415460) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID57415460
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(OCc3cccc(F)c3)nc2CCN1CC1CC1
InChIInChI=1S/C19H19FN2O2/c20-15-3-1-2-14(10-15)12-24-18-7-6-16-17(21-18)8-9-22(19(16)23)11-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9,11-12H2
InChIKeyHLTIKFPRQFJBBF-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one (CID 57415460) is 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1CC1CC1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is HLTIKFPRQFJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-3-1-2-14(10-15)12-24-18-7-6-16-17(21-18)8-9-22(19(16)23)11-13-4-5-13/h1-3,6-7,10,13H,4-5,8-9,11-12H2.
What are the key properties of 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one?
6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 326.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 57415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).