6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

C23H15F2N5O — CID 71179859

IUPAC6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(-c2ccc3nc(-c4cccnc4)nc(NCc4cnco4)c3c2)c(F)c1
InChIInChI=1S/C23H15F2N5O/c24-16-4-5-18(20(25)9-16)14-3-6-21-19(8-14)23(28-12-17-11-27-13-31-17)30-22(29-21)15-2-1-7-26-10-15/h1-11,13H,12H2,(H,28,29,30)
InChIKeyRIURZBSCXTWMSO-UHFFFAOYSA-N
MW415.40 g/mol
LogP5.24
Rot. Bonds5

About 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71179859) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71179859
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(-c2ccc3nc(-c4cccnc4)nc(NCc4cnco4)c3c2)c(F)c1
InChIInChI=1S/C23H15F2N5O/c24-16-4-5-18(20(25)9-16)14-3-6-21-19(8-14)23(28-12-17-11-27-13-31-17)30-22(29-21)15-2-1-7-26-10-15/h1-11,13H,12H2,(H,28,29,30)
InChIKeyRIURZBSCXTWMSO-UHFFFAOYSA-N
XLogP5.24
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71179859) is 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(-c2ccc3nc(-c4cccnc4)nc(NCc4cnco4)c3c2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is RIURZBSCXTWMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O/c24-16-4-5-18(20(25)9-16)14-3-6-21-19(8-14)23(28-12-17-11-27-13-31-17)30-22(29-21)15-2-1-7-26-10-15/h1-11,13H,12H2,(H,28,29,30).
What are the key properties of 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 415.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-(1,3-oxazol-5-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71179859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).