6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one

C15H20N4O2 — CID 136695051

IUPAC6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
SMILESCCC1OCCC1CNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C15H20N4O2/c1-2-14-9(3-4-21-14)7-17-13-6-12-10(5-11(13)16)15(20)19-8-18-12/h5-6,8-9,14,17H,2-4,7,16H2,1H3,(H,18,19,20)
InChIKeyHCAMURAUNMSGPP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds4

About 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one

6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one (PubChem CID 136695051) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
PubChem CID136695051
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
SMILESCCC1OCCC1CNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C15H20N4O2/c1-2-14-9(3-4-21-14)7-17-13-6-12-10(5-11(13)16)15(20)19-8-18-12/h5-6,8-9,14,17H,2-4,7,16H2,1H3,(H,18,19,20)
InChIKeyHCAMURAUNMSGPP-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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Related Compounds

6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
CID 136791661
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
CID 136695052
6-amino-7-(thian-4-ylamino)-3H-quinazolin-4-one
CID 136952216
4-bromo-2-N-[(2-ethyloxolan-3-yl)methyl]benzene-1,2-diamine
CID 114104779
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
CID 136811945
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-amino-7-(thian-3-ylamino)-3H-quinazolin-4-one
CID 136952215

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one (CID 136695051) is 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one is CCC1OCCC1CNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
The InChIKey is HCAMURAUNMSGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-14-9(3-4-21-14)7-17-13-6-12-10(5-11(13)16)15(20)19-8-18-12/h5-6,8-9,14,17H,2-4,7,16H2,1H3,(H,18,19,20).
What are the key properties of 6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one?
6-amino-7-[(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-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136695051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).