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

C21H13ClFN5 — CID 10157176

IUPAC2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1
InChIInChI=1S/C21H13ClFN5/c22-16-7-3-1-5-13(16)19-24-17-8-4-2-6-14(17)20(25-19)26-21-15-11-12(23)9-10-18(15)27-28-21/h1-11H,(H2,24,25,26,27,28)
InChIKeyHDKPXGJXICLWPB-UHFFFAOYSA-N
MW389.82 g/mol
LogP5.71
Rot. Bonds3

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

2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (PubChem CID 10157176) has the molecular formula C21H13ClFN5 and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
PubChem CID10157176
Molecular FormulaC21H13ClFN5
Molecular Weight389.82 g/mol
Exact Mass389.08
IUPAC Name2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1
InChIInChI=1S/C21H13ClFN5/c22-16-7-3-1-5-13(16)19-24-17-8-4-2-6-14(17)20(25-19)26-21-15-11-12(23)9-10-18(15)27-28-21/h1-11H,(H2,24,25,26,27,28)
InChIKeyHDKPXGJXICLWPB-UHFFFAOYSA-N
XLogP5.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (CID 10157176) is 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The InChIKey is HDKPXGJXICLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5/c22-16-7-3-1-5-13(16)19-24-17-8-4-2-6-14(17)20(25-19)26-21-15-11-12(23)9-10-18(15)27-28-21/h1-11H,(H2,24,25,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine has a molecular weight of 389.82 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10157176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).