4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

C20H13ClFN3 — CID 24965659

IUPAC4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(-c2ccc3ncnc(Cc4ccccc4Cl)c3n2)cc1
InChIInChI=1S/C20H13ClFN3/c21-16-4-2-1-3-14(16)11-19-20-18(23-12-24-19)10-9-17(25-20)13-5-7-15(22)8-6-13/h1-10,12H,11H2
InChIKeyFKQLRFMMRZKDON-UHFFFAOYSA-N
MW349.80 g/mol
LogP5.08
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 24965659) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
PubChem CID24965659
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC Name4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(-c2ccc3ncnc(Cc4ccccc4Cl)c3n2)cc1
InChIInChI=1S/C20H13ClFN3/c21-16-4-2-1-3-14(16)11-19-20-18(23-12-24-19)10-9-17(25-20)13-5-7-15(22)8-6-13/h1-10,12H,11H2
InChIKeyFKQLRFMMRZKDON-UHFFFAOYSA-N
XLogP5.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.80
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

SD-208
CID 10316032
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
N-(3-chlorophenyl)-6-fluoroquinazolin-4-amine
CID 24991329
6-(3-Fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 86703914
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]purine
CID 135156445
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]purine
CID 135156469
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
N-[4-[(3-chloro-4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564526
2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
CID 3232645
N4-(3-chloro-4-fluorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 10851012
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (CID 24965659) is 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is Fc1ccc(-c2ccc3ncnc(Cc4ccccc4Cl)c3n2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is FKQLRFMMRZKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3/c21-16-4-2-1-3-14(16)11-19-20-18(23-12-24-19)10-9-17(25-20)13-5-7-15(22)8-6-13/h1-10,12H,11H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 349.80 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 24965659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).