4-(1-aminoethyl)-2-chloroquinazolin-7-ol

C10H10ClN3O — CID 136699514

IUPAC4-(1-aminoethyl)-2-chloroquinazolin-7-ol
SMILESCC(N)c1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C10H10ClN3O/c1-5(12)9-7-3-2-6(15)4-8(7)13-10(11)14-9/h2-5,15H,12H2,1H3
InChIKeyGXKANCQCJOKOBT-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.01
Rot. Bonds1

About 4-(1-aminoethyl)-2-chloroquinazolin-7-ol

4-(1-aminoethyl)-2-chloroquinazolin-7-ol (PubChem CID 136699514) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloroquinazolin-7-ol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloroquinazolin-7-ol
PubChem CID136699514
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-(1-aminoethyl)-2-chloroquinazolin-7-ol
SMILESCC(N)c1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C10H10ClN3O/c1-5(12)9-7-3-2-6(15)4-8(7)13-10(11)14-9/h2-5,15H,12H2,1H3
InChIKeyGXKANCQCJOKOBT-UHFFFAOYSA-N
XLogP2.01
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloroquinazolin-7-ol?
The IUPAC name of 4-(1-aminoethyl)-2-chloroquinazolin-7-ol (CID 136699514) is 4-(1-aminoethyl)-2-chloroquinazolin-7-ol.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloroquinazolin-7-ol?
The canonical SMILES for 4-(1-aminoethyl)-2-chloroquinazolin-7-ol is CC(N)c1nc(Cl)nc2cc(O)ccc12.
What is the InChIKey of 4-(1-aminoethyl)-2-chloroquinazolin-7-ol?
The InChIKey is GXKANCQCJOKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-5(12)9-7-3-2-6(15)4-8(7)13-10(11)14-9/h2-5,15H,12H2,1H3.
What are the key properties of 4-(1-aminoethyl)-2-chloroquinazolin-7-ol?
4-(1-aminoethyl)-2-chloroquinazolin-7-ol has a molecular weight of 223.66 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloroquinazolin-7-ol is sourced from PubChem (CID 136699514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).