4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol

C15H8Cl2N4O — CID 135632645

IUPAC4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
SMILESOc1ccc(Cl)cc1-c1nc2c3c(Cl)cccc3ncn2n1
InChIInChI=1S/C15H8Cl2N4O/c16-8-4-5-12(22)9(6-8)14-19-15-13-10(17)2-1-3-11(13)18-7-21(15)20-14/h1-7,22H
InChIKeySEQFBCQCJPGUQK-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.96
Rot. Bonds1

About 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol

4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol (PubChem CID 135632645) has the molecular formula C15H8Cl2N4O and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
PubChem CID135632645
Molecular FormulaC15H8Cl2N4O
Molecular Weight331.16 g/mol
Exact Mass330.01
IUPAC Name4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
SMILESOc1ccc(Cl)cc1-c1nc2c3c(Cl)cccc3ncn2n1
InChIInChI=1S/C15H8Cl2N4O/c16-8-4-5-12(22)9(6-8)14-19-15-13-10(17)2-1-3-11(13)18-7-21(15)20-14/h1-7,22H
InChIKeySEQFBCQCJPGUQK-UHFFFAOYSA-N
XLogP3.96
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The IUPAC name of 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol (CID 135632645) is 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol.
What is the SMILES notation for 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The canonical SMILES for 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol is Oc1ccc(Cl)cc1-c1nc2c3c(Cl)cccc3ncn2n1.
What is the InChIKey of 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The InChIKey is SEQFBCQCJPGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O/c16-8-4-5-12(22)9(6-8)14-19-15-13-10(17)2-1-3-11(13)18-7-21(15)20-14/h1-7,22H.
What are the key properties of 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol has a molecular weight of 331.16 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol is sourced from PubChem (CID 135632645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).