3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one

C14H11ClN4O — CID 62886832

IUPAC3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
SMILESNc1ccc(Cl)c(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C14H11ClN4O/c15-10-5-6-13(16)18-12(10)7-19-8-17-11-4-2-1-3-9(11)14(19)20/h1-6,8H,7H2,(H2,16,18)
InChIKeyFEOFZCJUYQXKQJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.08
Rot. Bonds2

About 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one

3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one (PubChem CID 62886832) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
PubChem CID62886832
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
SMILESNc1ccc(Cl)c(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C14H11ClN4O/c15-10-5-6-13(16)18-12(10)7-19-8-17-11-4-2-1-3-9(11)14(19)20/h1-6,8H,7H2,(H2,16,18)
InChIKeyFEOFZCJUYQXKQJ-UHFFFAOYSA-N
XLogP2.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one (CID 62886832) is 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one is Nc1ccc(Cl)c(Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one?
The InChIKey is FEOFZCJUYQXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-5-6-13(16)18-12(10)7-19-8-17-11-4-2-1-3-9(11)14(19)20/h1-6,8H,7H2,(H2,16,18).
What are the key properties of 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one?
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one has a molecular weight of 286.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one is sourced from PubChem (CID 62886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).