N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine

C24H18FN5O — CID 70789692

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C24H18FN5O/c1-14-22(15(2)31-30-14)18-8-7-17(13-20(18)25)27-24-19-5-3-4-6-21(19)28-23(29-24)16-9-11-26-12-10-16/h3-13H,1-2H3,(H,27,28,29)
InChIKeyABWNQMGBXJNPCQ-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.85
Rot. Bonds4

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789692) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789692
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F
InChIInChI=1S/C24H18FN5O/c1-14-22(15(2)31-30-14)18-8-7-17(13-20(18)25)27-24-19-5-3-4-6-21(19)28-23(29-24)16-9-11-26-12-10-16/h3-13H,1-2H3,(H,27,28,29)
InChIKeyABWNQMGBXJNPCQ-UHFFFAOYSA-N
XLogP5.85
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine (CID 70789692) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine is Cc1noc(C)c1-c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1F.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is ABWNQMGBXJNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-14-22(15(2)31-30-14)18-8-7-17(13-20(18)25)27-24-19-5-3-4-6-21(19)28-23(29-24)16-9-11-26-12-10-16/h3-13H,1-2H3,(H,27,28,29).
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 411.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).