N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine

C16H12F3N3 — CID 91642669

IUPACN-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3cccc(F)c3F)c2c1
InChIInChI=1S/C16H12F3N3/c17-11-4-5-14-12(8-11)16(22-9-21-14)20-7-6-10-2-1-3-13(18)15(10)19/h1-5,8-9H,6-7H2,(H,20,21,22)
InChIKeyBOKSVNSQEGBEKR-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine

N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine (PubChem CID 91642669) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
PubChem CID91642669
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3cccc(F)c3F)c2c1
InChIInChI=1S/C16H12F3N3/c17-11-4-5-14-12(8-11)16(22-9-21-14)20-7-6-10-2-1-3-13(18)15(10)19/h1-5,8-9H,6-7H2,(H,20,21,22)
InChIKeyBOKSVNSQEGBEKR-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine
CID 112843885
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
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
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine (CID 91642669) is N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCCc3cccc(F)c3F)c2c1.
What is the InChIKey of N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine?
The InChIKey is BOKSVNSQEGBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-11-4-5-14-12(8-11)16(22-9-21-14)20-7-6-10-2-1-3-13(18)15(10)19/h1-5,8-9H,6-7H2,(H,20,21,22).
What are the key properties of N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine?
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine has a molecular weight of 303.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 91642669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).