6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one

C15H22N4O2 — CID 136690649

IUPAC6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
SMILESCC(C)OCCCCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C15H22N4O2/c1-10(2)21-6-4-3-5-17-14-8-13-11(7-12(14)16)15(20)19-9-18-13/h7-10,17H,3-6,16H2,1-2H3,(H,18,19,20)
InChIKeyCVVNYZCRGLQBHE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.12
Rot. Bonds7

About 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one

6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one (PubChem CID 136690649) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
PubChem CID136690649
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
SMILESCC(C)OCCCCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C15H22N4O2/c1-10(2)21-6-4-3-5-17-14-8-13-11(7-12(14)16)15(20)19-9-18-13/h7-10,17H,3-6,16H2,1-2H3,(H,18,19,20)
InChIKeyCVVNYZCRGLQBHE-UHFFFAOYSA-N
XLogP2.12
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
CID 136811945
6-amino-7-[3-(triazol-1-yl)propylamino]-3H-quinazolin-4-one
CID 136824779
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136824079
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
CID 136819009
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-amino-7-[2-(oxolan-3-yl)ethylamino]-3H-quinazolin-4-one
CID 136791661

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one (CID 136690649) is 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one is CC(C)OCCCCNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The InChIKey is CVVNYZCRGLQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)21-6-4-3-5-17-14-8-13-11(7-12(14)16)15(20)19-9-18-13/h7-10,17H,3-6,16H2,1-2H3,(H,18,19,20).
What are the key properties of 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one has a molecular weight of 290.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136690649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).