6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one

C16H13ClFN3O2 — CID 134810852

IUPAC6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)c(Cl)c3)nc2c1=O
InChIInChI=1S/C16H13ClFN3O2/c1-23-7-6-21-9-19-14-5-4-13(20-15(14)16(21)22)10-2-3-12(18)11(17)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyHVCFNUFLGOTZEZ-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.90
Rot. Bonds4

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

6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810852) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810852
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3ccc(F)c(Cl)c3)nc2c1=O
InChIInChI=1S/C16H13ClFN3O2/c1-23-7-6-21-9-19-14-5-4-13(20-15(14)16(21)22)10-2-3-12(18)11(17)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyHVCFNUFLGOTZEZ-UHFFFAOYSA-N
XLogP2.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
6-(4-Fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810843
1-Benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810897
1-(Cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810941
1-(Cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810982
3-(2-Methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134810878
3-(2-Methoxyethyl)-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810876
6-(4-Chlorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808989
3-(2-Methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810854
6-(4-Chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810959

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810852) is 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3ccc(F)c(Cl)c3)nc2c1=O.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is HVCFNUFLGOTZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-23-7-6-21-9-19-14-5-4-13(20-15(14)16(21)22)10-2-3-12(18)11(17)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 333.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).