6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine

C19H11ClF2N4 — CID 118447998

IUPAC6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3F)cc12
InChIInChI=1S/C19H11ClF2N4/c20-16-14(21)5-4-12(17(16)22)18-11(2-1-7-24-18)10-3-6-15-13(8-10)19(23)26-9-25-15/h1-9H,(H2,23,25,26)
InChIKeyFTERQQKLNYBGKV-UHFFFAOYSA-N
MW368.77 g/mol
LogP4.87
Rot. Bonds2

About 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 118447998) has the molecular formula C19H11ClF2N4 and a molecular weight of 368.77 g/mol. Its IUPAC name is 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID118447998
Molecular FormulaC19H11ClF2N4
Molecular Weight368.77 g/mol
Exact Mass368.06
IUPAC Name6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3F)cc12
InChIInChI=1S/C19H11ClF2N4/c20-16-14(21)5-4-12(17(16)22)18-11(2-1-7-24-18)10-3-6-15-13(8-10)19(23)26-9-25-15/h1-9H,(H2,23,25,26)
InChIKeyFTERQQKLNYBGKV-UHFFFAOYSA-N
XLogP4.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine (CID 118447998) is 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine is Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3F)cc12.
What is the InChIKey of 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is FTERQQKLNYBGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4/c20-16-14(21)5-4-12(17(16)22)18-11(2-1-7-24-18)10-3-6-15-13(8-10)19(23)26-9-25-15/h1-9H,(H2,23,25,26).
What are the key properties of 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 368.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 118447998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).