N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine

C24H18FN5 — CID 10272020

IUPACN-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(C4CC4c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C24H18FN5/c25-15-10-11-21-19(12-15)24(30-29-21)28-22-16-8-4-5-9-20(16)26-23(27-22)18-13-17(18)14-6-2-1-3-7-14/h1-12,17-18H,13H2,(H2,26,27,28,29,30)
InChIKeyFAEFHOMDLGPZFR-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.66
Rot. Bonds4

About N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine

N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine (PubChem CID 10272020) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine
PubChem CID10272020
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC NameN-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(C4CC4c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C24H18FN5/c25-15-10-11-21-19(12-15)24(30-29-21)28-22-16-8-4-5-9-20(16)26-23(27-22)18-13-17(18)14-6-2-1-3-7-14/h1-12,17-18H,13H2,(H2,26,27,28,29,30)
InChIKeyFAEFHOMDLGPZFR-UHFFFAOYSA-N
XLogP5.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine?
The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine (CID 10272020) is N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine.
What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine?
The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine is Fc1ccc2[nH]nc(Nc3nc(C4CC4c4ccccc4)nc4ccccc34)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine?
The InChIKey is FAEFHOMDLGPZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c25-15-10-11-21-19(12-15)24(30-29-21)28-22-16-8-4-5-9-20(16)26-23(27-22)18-13-17(18)14-6-2-1-3-7-14/h1-12,17-18H,13H2,(H2,26,27,28,29,30).
What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine?
N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine has a molecular weight of 395.44 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indazol-3-yl)-2-(2-phenylcyclopropyl)quinazolin-4-amine is sourced from PubChem (CID 10272020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).