4-amino-2-chloroquinazolin-7-ol

C8H6ClN3O — CID 136693537

IUPAC4-amino-2-chloroquinazolin-7-ol
SMILESNc1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C8H6ClN3O/c9-8-11-6-3-4(13)1-2-5(6)7(10)12-8/h1-3,13H,(H2,10,11,12)
InChIKeyRORJMWBZZSHHNO-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.57
Rot. Bonds

About 4-amino-2-chloroquinazolin-7-ol

4-amino-2-chloroquinazolin-7-ol (PubChem CID 136693537) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-amino-2-chloroquinazolin-7-ol.

Molecular Properties

Compound Name4-amino-2-chloroquinazolin-7-ol
PubChem CID136693537
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-amino-2-chloroquinazolin-7-ol
SMILESNc1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C8H6ClN3O/c9-8-11-6-3-4(13)1-2-5(6)7(10)12-8/h1-3,13H,(H2,10,11,12)
InChIKeyRORJMWBZZSHHNO-UHFFFAOYSA-N
XLogP1.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloroquinazolin-7-ol?
The IUPAC name of 4-amino-2-chloroquinazolin-7-ol (CID 136693537) is 4-amino-2-chloroquinazolin-7-ol.
What is the SMILES notation for 4-amino-2-chloroquinazolin-7-ol?
The canonical SMILES for 4-amino-2-chloroquinazolin-7-ol is Nc1nc(Cl)nc2cc(O)ccc12.
What is the InChIKey of 4-amino-2-chloroquinazolin-7-ol?
The InChIKey is RORJMWBZZSHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-8-11-6-3-4(13)1-2-5(6)7(10)12-8/h1-3,13H,(H2,10,11,12).
What are the key properties of 4-amino-2-chloroquinazolin-7-ol?
4-amino-2-chloroquinazolin-7-ol has a molecular weight of 195.61 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloroquinazolin-7-ol is sourced from PubChem (CID 136693537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).