7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

C20H10Cl3F3N4 — CID 89347927

IUPAC7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccc(Cl)cc3n2)cn1
InChIInChI=1S/C20H10Cl3F3N4/c21-11-2-4-13-16(7-11)29-18(10-1-6-17(27-9-10)20(24,25)26)30-19(13)28-12-3-5-14(22)15(23)8-12/h1-9H,(H,28,29,30)
InChIKeyKIQNDRXQCSWZFP-UHFFFAOYSA-N
MW469.68 g/mol
LogP7.41
Rot. Bonds3

About 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 89347927) has the molecular formula C20H10Cl3F3N4 and a molecular weight of 469.68 g/mol. Its IUPAC name is 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID89347927
Molecular FormulaC20H10Cl3F3N4
Molecular Weight469.68 g/mol
Exact Mass467.99
IUPAC Name7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccc(Cl)cc3n2)cn1
InChIInChI=1S/C20H10Cl3F3N4/c21-11-2-4-13-16(7-11)29-18(10-1-6-17(27-9-10)20(24,25)26)30-19(13)28-12-3-5-14(22)15(23)8-12/h1-9H,(H,28,29,30)
InChIKeyKIQNDRXQCSWZFP-UHFFFAOYSA-N
XLogP7.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (CID 89347927) is 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is FC(F)(F)c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccc(Cl)cc3n2)cn1.
What is the InChIKey of 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is KIQNDRXQCSWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl3F3N4/c21-11-2-4-13-16(7-11)29-18(10-1-6-17(27-9-10)20(24,25)26)30-19(13)28-12-3-5-14(22)15(23)8-12/h1-9H,(H,28,29,30).
What are the key properties of 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 469.68 g/mol, XLogP of 7.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 89347927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).