8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine

C19H11ClF2N4 — CID 71180050

IUPAC8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3c(Cl)cccc23)cc1F
InChIInChI=1S/C19H11ClF2N4/c20-14-5-1-4-13-17(14)25-18(11-3-2-8-23-10-11)26-19(13)24-12-6-7-15(21)16(22)9-12/h1-10H,(H,24,25,26)
InChIKeyLURZLJKEMIQHIX-UHFFFAOYSA-N
MW368.77 g/mol
LogP5.37
Rot. Bonds3

About 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine

8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180050) has the molecular formula C19H11ClF2N4 and a molecular weight of 368.77 g/mol. Its IUPAC name is 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180050
Molecular FormulaC19H11ClF2N4
Molecular Weight368.77 g/mol
Exact Mass368.06
IUPAC Name8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3c(Cl)cccc23)cc1F
InChIInChI=1S/C19H11ClF2N4/c20-14-5-1-4-13-17(14)25-18(11-3-2-8-23-10-11)26-19(13)24-12-6-7-15(21)16(22)9-12/h1-10H,(H,24,25,26)
InChIKeyLURZLJKEMIQHIX-UHFFFAOYSA-N
XLogP5.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.77
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180050) is 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3c(Cl)cccc23)cc1F.
What is the InChIKey of 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LURZLJKEMIQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4/c20-14-5-1-4-13-17(14)25-18(11-3-2-8-23-10-11)26-19(13)24-12-6-7-15(21)16(22)9-12/h1-10H,(H,24,25,26).
What are the key properties of 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 368.77 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).