N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

C16H10ClF4N3 — CID 21003580

IUPACN-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H10ClF4N3/c1-8-2-5-13-10(6-8)14(24-15(23-13)16(19,20)21)22-9-3-4-12(18)11(17)7-9/h2-7H,1H3,(H,22,23,24)
InChIKeyKKWAQHTTZNBNHM-UHFFFAOYSA-N
MW355.72 g/mol
LogP5.49
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003580) has the molecular formula C16H10ClF4N3 and a molecular weight of 355.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003580
Molecular FormulaC16H10ClF4N3
Molecular Weight355.72 g/mol
Exact Mass355.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H10ClF4N3/c1-8-2-5-13-10(6-8)14(24-15(23-13)16(19,20)21)22-9-3-4-12(18)11(17)7-9/h2-7H,1H3,(H,22,23,24)
InChIKeyKKWAQHTTZNBNHM-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.72
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003598
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981065
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434640
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430592
2-chloro-N-(3-chloro-4-fluorophenyl)-6-[3-(2,2-dimethylhydrazinyl)prop-1-ynyl]quinazolin-4-amine
CID 151745087
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 21003580) is N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is Cc1ccc2nc(C(F)(F)F)nc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is KKWAQHTTZNBNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3/c1-8-2-5-13-10(6-8)14(24-15(23-13)16(19,20)21)22-9-3-4-12(18)11(17)7-9/h2-7H,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 355.72 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).