3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one

C17H21N3O — CID 73188200

IUPAC3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one
SMILESC=C(C)CC(CC=CC)c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C17H21N3O/c1-4-5-8-13(11-12(2)3)16-19-15-10-7-6-9-14(15)17(21)20(16)18/h4-7,9-10,13H,2,8,11,18H2,1,3H3
InChIKeyXFGSUSBOZUBOMC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one

3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one (PubChem CID 73188200) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one
PubChem CID73188200
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one
SMILESC=C(C)CC(CC=CC)c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C17H21N3O/c1-4-5-8-13(11-12(2)3)16-19-15-10-7-6-9-14(15)17(21)20(16)18/h4-7,9-10,13H,2,8,11,18H2,1,3H3
InChIKeyXFGSUSBOZUBOMC-UHFFFAOYSA-N
XLogP3.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
CID 99903211
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-amino-2-but-3-enylquinazolin-4-one
CID 12733618
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
CID 164840749
CID 164840749
2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
CID 70298054
3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
CID 10541902
3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
CID 10587365
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-amino-2-heptylquinazolin-4-one
CID 154013236
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one (CID 73188200) is 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one is C=C(C)CC(CC=CC)c1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one?
The InChIKey is XFGSUSBOZUBOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-5-8-13(11-12(2)3)16-19-15-10-7-6-9-14(15)17(21)20(16)18/h4-7,9-10,13H,2,8,11,18H2,1,3H3.
What are the key properties of 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one?
3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one has a molecular weight of 283.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one is sourced from PubChem (CID 73188200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).