5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine

C15H11ClF3N3 — CID 11854801

IUPAC5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine
SMILESFC(F)(F)c1cccc(NC2=NCc3c(Cl)cccc3N2)c1
InChIInChI=1S/C15H11ClF3N3/c16-12-5-2-6-13-11(12)8-20-14(22-13)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22)
InChIKeyOEKDLLDZHHSBIO-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.75
Rot. Bonds1

About 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine

5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine (PubChem CID 11854801) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine
PubChem CID11854801
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine
SMILESFC(F)(F)c1cccc(NC2=NCc3c(Cl)cccc3N2)c1
InChIInChI=1S/C15H11ClF3N3/c16-12-5-2-6-13-11(12)8-20-14(22-13)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22)
InChIKeyOEKDLLDZHHSBIO-UHFFFAOYSA-N
XLogP4.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
2-[3-(trifluoromethyl)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136741458
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
CID 126697090
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine?
The IUPAC name of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine (CID 11854801) is 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine is FC(F)(F)c1cccc(NC2=NCc3c(Cl)cccc3N2)c1.
What is the InChIKey of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine?
The InChIKey is OEKDLLDZHHSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c16-12-5-2-6-13-11(12)8-20-14(22-13)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22).
What are the key properties of 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine?
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine has a molecular weight of 325.72 g/mol, XLogP of 4.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 11854801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).