6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one

C15H22N4O2 — CID 136824079

IUPAC6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
SMILESCCOCC(Nc1cc2nc[nH]c(=O)c2cc1N)C(C)C
InChIInChI=1S/C15H22N4O2/c1-4-21-7-14(9(2)3)19-13-6-12-10(5-11(13)16)15(20)18-8-17-12/h5-6,8-9,14,19H,4,7,16H2,1-3H3,(H,17,18,20)
InChIKeyHGQBOWYVBHYMLE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.98
Rot. Bonds6

About 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one

6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 136824079) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
PubChem CID136824079
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
SMILESCCOCC(Nc1cc2nc[nH]c(=O)c2cc1N)C(C)C
InChIInChI=1S/C15H22N4O2/c1-4-21-7-14(9(2)3)19-13-6-12-10(5-11(13)16)15(20)18-8-17-12/h5-6,8-9,14,19H,4,7,16H2,1-3H3,(H,17,18,20)
InChIKeyHGQBOWYVBHYMLE-UHFFFAOYSA-N
XLogP1.98
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.98
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-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one (CID 136824079) is 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one is CCOCC(Nc1cc2nc[nH]c(=O)c2cc1N)C(C)C.
What is the InChIKey of 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is HGQBOWYVBHYMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-21-7-14(9(2)3)19-13-6-12-10(5-11(13)16)15(20)18-8-17-12/h5-6,8-9,14,19H,4,7,16H2,1-3H3,(H,17,18,20).
What are the key properties of 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one?
6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 290.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136824079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).