6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one

C14H10ClN3O2 — CID 16641541

IUPAC6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one
SMILESNc1ccc2ncn(-c3cc(Cl)ccc3O)c(=O)c2c1
InChIInChI=1S/C14H10ClN3O2/c15-8-1-4-13(19)12(5-8)18-7-17-11-3-2-9(16)6-10(11)14(18)20/h1-7,19H,16H2
InChIKeyXTNJNZXYMXYZAJ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.33
Rot. Bonds1

About 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one

6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one (PubChem CID 16641541) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one
PubChem CID16641541
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one
SMILESNc1ccc2ncn(-c3cc(Cl)ccc3O)c(=O)c2c1
InChIInChI=1S/C14H10ClN3O2/c15-8-1-4-13(19)12(5-8)18-7-17-11-3-2-9(16)6-10(11)14(18)20/h1-7,19H,16H2
InChIKeyXTNJNZXYMXYZAJ-UHFFFAOYSA-N
XLogP2.33
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one (CID 16641541) is 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one is Nc1ccc2ncn(-c3cc(Cl)ccc3O)c(=O)c2c1.
What is the InChIKey of 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one?
The InChIKey is XTNJNZXYMXYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-8-1-4-13(19)12(5-8)18-7-17-11-3-2-9(16)6-10(11)14(18)20/h1-7,19H,16H2.
What are the key properties of 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one?
6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one has a molecular weight of 287.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 16641541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).