2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C16H17BrFN3 — CID 82788396

IUPAC2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)c(Br)c3)ncc2C(N)C1
InChIInChI=1S/C16H17BrFN3/c1-16(2)6-13(19)10-8-20-15(21-14(10)7-16)9-3-4-12(18)11(17)5-9/h3-5,8,13H,6-7,19H2,1-2H3
InChIKeyCJBSSTYKJICYDN-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.02
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 82788396) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID82788396
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)c(Br)c3)ncc2C(N)C1
InChIInChI=1S/C16H17BrFN3/c1-16(2)6-13(19)10-8-20-15(21-14(10)7-16)9-3-4-12(18)11(17)5-9/h3-5,8,13H,6-7,19H2,1-2H3
InChIKeyCJBSSTYKJICYDN-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 82788396) is 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(-c3ccc(F)c(Br)c3)ncc2C(N)C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is CJBSSTYKJICYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-16(2)6-13(19)10-8-20-15(21-14(10)7-16)9-3-4-12(18)11(17)5-9/h3-5,8,13H,6-7,19H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 350.24 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 82788396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).