6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

C22H16FN5O — CID 71612204

IUPAC6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1F
InChIInChI=1S/C22H16FN5O/c1-29-21-10-14(5-7-17(21)23)13-6-8-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyGSSNIHZZGNIKKX-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.06
Rot. Bonds4

About 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (PubChem CID 71612204) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
PubChem CID71612204
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1F
InChIInChI=1S/C22H16FN5O/c1-29-21-10-14(5-7-17(21)23)13-6-8-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27)
InChIKeyGSSNIHZZGNIKKX-UHFFFAOYSA-N
XLogP5.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (CID 71612204) is 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The InChIKey is GSSNIHZZGNIKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-29-21-10-14(5-7-17(21)23)13-6-8-18-15(9-13)22(25-12-24-18)27-19-3-2-4-20-16(19)11-26-28-20/h2-12H,1H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine has a molecular weight of 385.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71612204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).