6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one

C15H20N4O2 — CID 136695052

IUPAC6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
SMILESCCC1OCCC1CNc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-2-13-9(5-6-21-13)8-17-15-18-12-4-3-10(16)7-11(12)14(20)19-15/h3-4,7,9,13H,2,5-6,8,16H2,1H3,(H2,17,18,19,20)
InChIKeyNLBWEDFLTBLZAA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds4

About 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one

6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one (PubChem CID 136695052) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
PubChem CID136695052
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
SMILESCCC1OCCC1CNc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-2-13-9(5-6-21-13)8-17-15-18-12-4-3-10(16)7-11(12)14(20)19-15/h3-4,7,9,13H,2,5-6,8,16H2,1H3,(H2,17,18,19,20)
InChIKeyNLBWEDFLTBLZAA-UHFFFAOYSA-N
XLogP1.73
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one (CID 136695052) is 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one is CCC1OCCC1CNc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The InChIKey is NLBWEDFLTBLZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-13-9(5-6-21-13)8-17-15-18-12-4-3-10(16)7-11(12)14(20)19-15/h3-4,7,9,13H,2,5-6,8,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136695052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).