N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine

C16H13ClFN3 — CID 55853802

IUPACN-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
SMILESCC(Nc1ncnc2cccc(F)c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3/c1-10(11-5-7-12(17)8-6-11)21-16-15-13(18)3-2-4-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyVWEPFIHOIQPHKP-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.60
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine

N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine (PubChem CID 55853802) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
PubChem CID55853802
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
SMILESCC(Nc1ncnc2cccc(F)c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3/c1-10(11-5-7-12(17)8-6-11)21-16-15-13(18)3-2-4-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21)
InChIKeyVWEPFIHOIQPHKP-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 97129414
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-fluoroquinazolin-4-amine
CID 72839025
(2S)-2-(3,4-difluorophenyl)-2-[(5-fluoroquinazolin-4-yl)amino]-N-methylacetamide
CID 95622920
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 15916595
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
N-[5-[4-chloro-2-(trifluoromethyl)phenyl]pent-4-yn-2-yl]-5-fluoroquinazolin-4-amine
CID 67890336
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
CID 79728788

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine (CID 55853802) is N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine is CC(Nc1ncnc2cccc(F)c12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
The InChIKey is VWEPFIHOIQPHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10(11-5-7-12(17)8-6-11)21-16-15-13(18)3-2-4-14(15)19-9-20-16/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine is sourced from PubChem (CID 55853802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).