2-amino-3-butylquinazolin-4-one

C12H15N3O — CID 71653207

IUPAC2-amino-3-butylquinazolin-4-one
SMILESCCCCn1c(N)nc2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-2-3-8-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3,(H2,13,14)
InChIKeyPYEAYYXEGJCVAT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.78
Rot. Bonds3

About 2-amino-3-butylquinazolin-4-one

2-amino-3-butylquinazolin-4-one (PubChem CID 71653207) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3-butylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-butylquinazolin-4-one
PubChem CID71653207
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-3-butylquinazolin-4-one
SMILESCCCCn1c(N)nc2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-2-3-8-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3,(H2,13,14)
InChIKeyPYEAYYXEGJCVAT-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-butylquinazolin-4-one
CID 12563436
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butylquinazolin-4-one?
The IUPAC name of 2-amino-3-butylquinazolin-4-one (CID 71653207) is 2-amino-3-butylquinazolin-4-one.
What is the SMILES notation for 2-amino-3-butylquinazolin-4-one?
The canonical SMILES for 2-amino-3-butylquinazolin-4-one is CCCCn1c(N)nc2ccccc2c1=O.
What is the InChIKey of 2-amino-3-butylquinazolin-4-one?
The InChIKey is PYEAYYXEGJCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-8-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3,(H2,13,14).
What are the key properties of 2-amino-3-butylquinazolin-4-one?
2-amino-3-butylquinazolin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butylquinazolin-4-one is sourced from PubChem (CID 71653207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).