6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine

C16H13BrFN3 — CID 25175672

IUPAC6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1cccc(CCNc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C16H13BrFN3/c17-12-4-5-15-14(9-12)16(21-10-20-15)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,20,21)
InChIKeyXKWNOLKTADIHRH-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.19
Rot. Bonds4

About 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine

6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine (PubChem CID 25175672) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
PubChem CID25175672
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1cccc(CCNc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C16H13BrFN3/c17-12-4-5-15-14(9-12)16(21-10-20-15)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,20,21)
InChIKeyXKWNOLKTADIHRH-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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Related Compounds

4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine (CID 25175672) is 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine is Fc1cccc(CCNc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is XKWNOLKTADIHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-4-5-15-14(9-12)16(21-10-20-15)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,20,21).
What are the key properties of 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-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 6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 25175672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).