4-(aminomethyl)-2-chloroquinazolin-6-ol

C9H8ClN3O — CID 105463659

IUPAC4-(aminomethyl)-2-chloroquinazolin-6-ol
SMILESNCc1nc(Cl)nc2ccc(O)cc12
InChIInChI=1S/C9H8ClN3O/c10-9-12-7-2-1-5(14)3-6(7)8(4-11)13-9/h1-3,14H,4,11H2
InChIKeyMXSYMQSCMCQKJF-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.45
Rot. Bonds1

About 4-(aminomethyl)-2-chloroquinazolin-6-ol

4-(aminomethyl)-2-chloroquinazolin-6-ol (PubChem CID 105463659) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloroquinazolin-6-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloroquinazolin-6-ol
PubChem CID105463659
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(aminomethyl)-2-chloroquinazolin-6-ol
SMILESNCc1nc(Cl)nc2ccc(O)cc12
InChIInChI=1S/C9H8ClN3O/c10-9-12-7-2-1-5(14)3-6(7)8(4-11)13-9/h1-3,14H,4,11H2
InChIKeyMXSYMQSCMCQKJF-UHFFFAOYSA-N
XLogP1.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloroquinazolin-6-ol?
The IUPAC name of 4-(aminomethyl)-2-chloroquinazolin-6-ol (CID 105463659) is 4-(aminomethyl)-2-chloroquinazolin-6-ol.
What is the SMILES notation for 4-(aminomethyl)-2-chloroquinazolin-6-ol?
The canonical SMILES for 4-(aminomethyl)-2-chloroquinazolin-6-ol is NCc1nc(Cl)nc2ccc(O)cc12.
What is the InChIKey of 4-(aminomethyl)-2-chloroquinazolin-6-ol?
The InChIKey is MXSYMQSCMCQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-9-12-7-2-1-5(14)3-6(7)8(4-11)13-9/h1-3,14H,4,11H2.
What are the key properties of 4-(aminomethyl)-2-chloroquinazolin-6-ol?
4-(aminomethyl)-2-chloroquinazolin-6-ol has a molecular weight of 209.64 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloroquinazolin-6-ol is sourced from PubChem (CID 105463659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).