N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine

C16H13BrFN3 — CID 171351508

IUPACN-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H13BrFN3/c17-12-3-1-11(2-4-12)7-8-19-16-14-9-13(18)5-6-15(14)20-10-21-16/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCARCDLDSZHAUPO-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.19
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine

N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine (PubChem CID 171351508) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine
PubChem CID171351508
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC NameN-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H13BrFN3/c17-12-3-1-11(2-4-12)7-8-19-16-14-9-13(18)5-6-15(14)20-10-21-16/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCARCDLDSZHAUPO-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine (CID 171351508) is N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCCc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The InChIKey is CARCDLDSZHAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-3-1-11(2-4-12)7-8-19-16-14-9-13(18)5-6-15(14)20-10-21-16/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine?
N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine has a molecular weight of 346.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 171351508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).