N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine

C18H15ClF3N3 — CID 167746923

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Cc1ccccc1Cl)Nc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H15ClF3N3/c1-11(9-12-5-2-3-8-15(12)19)25-17-13-6-4-7-14(18(20,21)22)16(13)23-10-24-17/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyWFBOMCJKKFJGRP-UHFFFAOYSA-N
MW365.79 g/mol
LogP5.35
Rot. Bonds4

About N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine

N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine (PubChem CID 167746923) has the molecular formula C18H15ClF3N3 and a molecular weight of 365.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
PubChem CID167746923
Molecular FormulaC18H15ClF3N3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Cc1ccccc1Cl)Nc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H15ClF3N3/c1-11(9-12-5-2-3-8-15(12)19)25-17-13-6-4-7-14(18(20,21)22)16(13)23-10-24-17/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyWFBOMCJKKFJGRP-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine (CID 167746923) is N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine is CC(Cc1ccccc1Cl)Nc1ncnc2c(C(F)(F)F)cccc12.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is WFBOMCJKKFJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3/c1-11(9-12-5-2-3-8-15(12)19)25-17-13-6-4-7-14(18(20,21)22)16(13)23-10-24-17/h2-8,10-11H,9H2,1H3,(H,23,24,25).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 365.79 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 167746923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).