6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one

C13H16N4O2 — CID 136785565

IUPAC6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one
SMILESCOC1CC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C13H16N4O2/c1-19-9-5-8(6-9)15-13-16-11-3-2-7(14)4-10(11)12(18)17-13/h2-4,8-9H,5-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyORGBGNPMOVELLS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.09
Rot. Bonds3

About 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one

6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one (PubChem CID 136785565) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one
PubChem CID136785565
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one
SMILESCOC1CC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1
InChIInChI=1S/C13H16N4O2/c1-19-9-5-8(6-9)15-13-16-11-3-2-7(14)4-10(11)12(18)17-13/h2-4,8-9H,5-6,14H2,1H3,(H2,15,16,17,18)
InChIKeyORGBGNPMOVELLS-UHFFFAOYSA-N
XLogP1.09
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.09
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-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one (CID 136785565) is 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one is COC1CC(Nc2nc3ccc(N)cc3c(=O)[nH]2)C1.
What is the InChIKey of 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one?
The InChIKey is ORGBGNPMOVELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-9-5-8(6-9)15-13-16-11-3-2-7(14)4-10(11)12(18)17-13/h2-4,8-9H,5-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one?
6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one has a molecular weight of 260.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136785565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).