6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one

C14H18N4O2 — CID 136791661

IUPAC6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1NCCC1CCOC1
InChIInChI=1S/C14H18N4O2/c15-11-5-10-12(17-8-18-14(10)19)6-13(11)16-3-1-9-2-4-20-7-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18,19)
InChIKeyXPBBKFFRUFWKSW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds4

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

6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one (PubChem CID 136791661) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
PubChem CID136791661
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1NCCC1CCOC1
InChIInChI=1S/C14H18N4O2/c15-11-5-10-12(17-8-18-14(10)19)6-13(11)16-3-1-9-2-4-20-7-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18,19)
InChIKeyXPBBKFFRUFWKSW-UHFFFAOYSA-N
XLogP1.34
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
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-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-7-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
CID 136695051
6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
CID 136880867
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
CID 136811945
6-nitro-7-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137271087
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
6-amino-7-(thian-4-ylamino)-3H-quinazolin-4-one
CID 136952216
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one (CID 136791661) is 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one is Nc1cc2c(=O)[nH]cnc2cc1NCCC1CCOC1.
What is the InChIKey of 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is XPBBKFFRUFWKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-11-5-10-12(17-8-18-14(10)19)6-13(11)16-3-1-9-2-4-20-7-9/h5-6,8-9,16H,1-4,7,15H2,(H,17,18,19).
What are the key properties of 6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one?
6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 274.32 g/mol, XLogP of 1.34, 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-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136791661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).