2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine

C14H7Cl3FN3 — CID 107576871

IUPAC2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
SMILESFc1c(Cl)cc(Nc2nc(Cl)nc3ccccc23)cc1Cl
InChIInChI=1S/C14H7Cl3FN3/c15-9-5-7(6-10(16)12(9)18)19-13-8-3-1-2-4-11(8)20-14(17)21-13/h1-6H,(H,19,20,21)
InChIKeyUIIKNDNPURWYRP-UHFFFAOYSA-N
MW342.59 g/mol
LogP5.47
Rot. Bonds2

About 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine

2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine (PubChem CID 107576871) has the molecular formula C14H7Cl3FN3 and a molecular weight of 342.59 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
PubChem CID107576871
Molecular FormulaC14H7Cl3FN3
Molecular Weight342.59 g/mol
Exact Mass340.97
IUPAC Name2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
SMILESFc1c(Cl)cc(Nc2nc(Cl)nc3ccccc23)cc1Cl
InChIInChI=1S/C14H7Cl3FN3/c15-9-5-7(6-10(16)12(9)18)19-13-8-3-1-2-4-11(8)20-14(17)21-13/h1-6H,(H,19,20,21)
InChIKeyUIIKNDNPURWYRP-UHFFFAOYSA-N
XLogP5.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine (CID 107576871) is 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine is Fc1c(Cl)cc(Nc2nc(Cl)nc3ccccc23)cc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine?
The InChIKey is UIIKNDNPURWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3FN3/c15-9-5-7(6-10(16)12(9)18)19-13-8-3-1-2-4-11(8)20-14(17)21-13/h1-6H,(H,19,20,21).
What are the key properties of 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine?
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine has a molecular weight of 342.59 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 107576871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).