8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one

C10H13N3O2 — CID 68705938

IUPAC8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one
SMILESNc1cccc2c1NC(=O)N(CCO)C2
InChIInChI=1S/C10H13N3O2/c11-8-3-1-2-7-6-13(4-5-14)10(15)12-9(7)8/h1-3,14H,4-6,11H2,(H,12,15)
InChIKeyBBDWFTAAMAQPRC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.61
Rot. Bonds2

About 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one

8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one (PubChem CID 68705938) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one
PubChem CID68705938
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one
SMILESNc1cccc2c1NC(=O)N(CCO)C2
InChIInChI=1S/C10H13N3O2/c11-8-3-1-2-7-6-13(4-5-14)10(15)12-9(7)8/h1-3,14H,4-6,11H2,(H,12,15)
InChIKeyBBDWFTAAMAQPRC-UHFFFAOYSA-N
XLogP0.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one (CID 68705938) is 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one is Nc1cccc2c1NC(=O)N(CCO)C2.
What is the InChIKey of 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is BBDWFTAAMAQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-3-1-2-7-6-13(4-5-14)10(15)12-9(7)8/h1-3,14H,4-6,11H2,(H,12,15).
What are the key properties of 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one?
8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 68705938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).