4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol

C14H10Cl2N4O — CID 54369095

IUPAC4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol
SMILESNc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3O)ccc2n1
InChIInChI=1S/C14H10Cl2N4O/c15-6-1-4-10(21)8(5-6)7-2-3-9-11(12(7)16)13(17)20-14(18)19-9/h1-5,21H,(H4,17,18,19,20)
InChIKeyURWKLBQFDCAUCU-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.47
Rot. Bonds1

About 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol

4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol (PubChem CID 54369095) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol
PubChem CID54369095
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol
SMILESNc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3O)ccc2n1
InChIInChI=1S/C14H10Cl2N4O/c15-6-1-4-10(21)8(5-6)7-2-3-9-11(12(7)16)13(17)20-14(18)19-9/h1-5,21H,(H4,17,18,19,20)
InChIKeyURWKLBQFDCAUCU-UHFFFAOYSA-N
XLogP3.47
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol?
The IUPAC name of 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol (CID 54369095) is 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol.
What is the SMILES notation for 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol?
The canonical SMILES for 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol is Nc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3O)ccc2n1.
What is the InChIKey of 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol?
The InChIKey is URWKLBQFDCAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-6-1-4-10(21)8(5-6)7-2-3-9-11(12(7)16)13(17)20-14(18)19-9/h1-5,21H,(H4,17,18,19,20).
What are the key properties of 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol?
4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol has a molecular weight of 321.17 g/mol, XLogP of 3.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-diamino-5-chloroquinazolin-6-yl)phenol is sourced from PubChem (CID 54369095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).