3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one

C17H14FN3O2 — CID 134805959

IUPAC3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(OCc3ccc(F)cc3)ccc2ncn1C1CC1
InChIInChI=1S/C17H14FN3O2/c18-12-3-1-11(2-4-12)9-23-15-8-7-14-16(20-15)17(22)21(10-19-14)13-5-6-13/h1-4,7-8,10,13H,5-6,9H2
InChIKeyGRTUCVAYHXFARB-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.84
Rot. Bonds4

About 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one

3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805959) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805959
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(OCc3ccc(F)cc3)ccc2ncn1C1CC1
InChIInChI=1S/C17H14FN3O2/c18-12-3-1-11(2-4-12)9-23-15-8-7-14-16(20-15)17(22)21(10-19-14)13-5-6-13/h1-4,7-8,10,13H,5-6,9H2
InChIKeyGRTUCVAYHXFARB-UHFFFAOYSA-N
XLogP2.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-phenylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57391293
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
6-(Cyclopropylmethyl)-2-[(3-fluorophenyl)methoxy]-7,8-dihydro-1,6-naphthyridin-5-one
CID 57415460
2-[(3-Fluorophenyl)methoxy]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 68105441
3-Cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634
2-Butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 90683111
[2-(cyclopropylmethoxy)-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](4-fluorophenyl)methanone
CID 91917926

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one (CID 134805959) is 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(OCc3ccc(F)cc3)ccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GRTUCVAYHXFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-12-3-1-11(2-4-12)9-23-15-8-7-14-16(20-15)17(22)21(10-19-14)13-5-6-13/h1-4,7-8,10,13H,5-6,9H2.
What are the key properties of 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 311.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).