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

C20H14F2N4 — CID 71180072

IUPACN-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cccc2c(Nc3ccc(F)c(F)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H14F2N4/c1-12-4-2-6-15-18(12)25-19(13-5-3-9-23-11-13)26-20(15)24-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,24,25,26)
InChIKeyLTPCSPUQQQEDGI-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.02
Rot. Bonds3

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

N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180072) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180072
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cccc2c(Nc3ccc(F)c(F)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H14F2N4/c1-12-4-2-6-15-18(12)25-19(13-5-3-9-23-11-13)26-20(15)24-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,24,25,26)
InChIKeyLTPCSPUQQQEDGI-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180072) is N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is Cc1cccc2c(Nc3ccc(F)c(F)c3)nc(-c3cccnc3)nc12.
What is the InChIKey of N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LTPCSPUQQQEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c1-12-4-2-6-15-18(12)25-19(13-5-3-9-23-11-13)26-20(15)24-14-7-8-16(21)17(22)10-14/h2-11H,1H3,(H,24,25,26).
What are the key properties of N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 348.36 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).