4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine

C17H14ClFN4O — CID 141391978

IUPAC4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-c2cncc3c(Cl)nc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C17H14ClFN4O/c18-16-14-10-20-9-13(11-1-3-12(19)4-2-11)15(14)21-17(22-16)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2
InChIKeyIIUZVUNMZSFRAV-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.32
Rot. Bonds2

About 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 141391978) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID141391978
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-c2cncc3c(Cl)nc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C17H14ClFN4O/c18-16-14-10-20-9-13(11-1-3-12(19)4-2-11)15(14)21-17(22-16)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2
InChIKeyIIUZVUNMZSFRAV-UHFFFAOYSA-N
XLogP3.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 141391978) is 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine is Fc1ccc(-c2cncc3c(Cl)nc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is IIUZVUNMZSFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-16-14-10-20-9-13(11-1-3-12(19)4-2-11)15(14)21-17(22-16)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2.
What are the key properties of 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 344.78 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 141391978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).