6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine

C16H22BrN3O — CID 59042620

IUPAC6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine
SMILESCCCCOc1nc2ccc(Br)cc2/c(=N/C)n1CCC
InChIInChI=1S/C16H22BrN3O/c1-4-6-10-21-16-19-14-8-7-12(17)11-13(14)15(18-3)20(16)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3/b18-15-
InChIKeyKINYBKKCAAMIAX-SDXDJHTJSA-N
MW352.28 g/mol
LogP3.92
Rot. Bonds6

About 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine

6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine (PubChem CID 59042620) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine.

Molecular Properties

Compound Name6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine
PubChem CID59042620
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine
SMILESCCCCOc1nc2ccc(Br)cc2/c(=N/C)n1CCC
InChIInChI=1S/C16H22BrN3O/c1-4-6-10-21-16-19-14-8-7-12(17)11-13(14)15(18-3)20(16)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3/b18-15-
InChIKeyKINYBKKCAAMIAX-SDXDJHTJSA-N
XLogP3.92
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one
CID 18434025
6-bromo-3-(oxiran-2-ylmethyl)-2-propoxyquinazolin-4-one
CID 15510330
6-bromo-N-[(E)-(4-butoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 155927940
6-(difluoromethylsulfanyl)-2-propoxy-3-propylquinazolin-4-one
CID 54037001
4-bromo-1,2-dibutoxybenzene
CID 10870333
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol
CID 162197629
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
1,4-dibromo-2-butoxybenzene
CID 69260452
methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate
CID 7896376
6-bromo-1-(6-bromo-2-butoxynaphthalen-1-yl)-2-butoxynaphthalene
CID 86206500
3-(aminomethyl)-6-bromo-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one;hydrochloride
CID 22176373

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine?
The IUPAC name of 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine (CID 59042620) is 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine.
What is the SMILES notation for 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine?
The canonical SMILES for 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine is CCCCOc1nc2ccc(Br)cc2/c(=N/C)n1CCC.
What is the InChIKey of 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine?
The InChIKey is KINYBKKCAAMIAX-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-6-10-21-16-19-14-8-7-12(17)11-13(14)15(18-3)20(16)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3/b18-15-.
What are the key properties of 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine?
6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine has a molecular weight of 352.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine is sourced from PubChem (CID 59042620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).