(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C20H15ClFN3O — CID 53147086

IUPAC(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H15ClFN3O/c21-15-7-4-8-16(22)18(15)20(26)25-10-9-17-14(12-25)11-23-19(24-17)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyOARGZOGPXWOOII-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.13
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 53147086) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID53147086
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H15ClFN3O/c21-15-7-4-8-16(22)18(15)20(26)25-10-9-17-14(12-25)11-23-19(24-17)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyOARGZOGPXWOOII-UHFFFAOYSA-N
XLogP4.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 53147086) is (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is OARGZOGPXWOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-15-7-4-8-16(22)18(15)20(26)25-10-9-17-14(12-25)11-23-19(24-17)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 367.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 53147086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).