7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine

C16H13ClFN3 — CID 91647410

IUPAC7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1ccccc1CCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClFN3/c17-12-5-6-13-15(9-12)20-10-21-16(13)19-8-7-11-3-1-2-4-14(11)18/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyGMKGHRCXUNCJQP-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.08
Rot. Bonds4

About 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine

7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine (PubChem CID 91647410) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
PubChem CID91647410
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1ccccc1CCNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClFN3/c17-12-5-6-13-15(9-12)20-10-21-16(13)19-8-7-11-3-1-2-4-14(11)18/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyGMKGHRCXUNCJQP-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
6,7-difluoro-N-[2-(2-nitrophenyl)ethyl]quinazolin-4-amine
CID 91643496
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597994
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine (CID 91647410) is 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine is Fc1ccccc1CCNc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is GMKGHRCXUNCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-12-5-6-13-15(9-12)20-10-21-16(13)19-8-7-11-3-1-2-4-14(11)18/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine?
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 91647410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).