6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

C23H19N5O — CID 71612080

IUPAC6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C23H19N5O/c1-2-29-17-9-6-15(7-10-17)16-8-11-20-18(12-16)23(25-14-24-20)27-21-4-3-5-22-19(21)13-26-28-22/h3-14H,2H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyJTUOQTSUUNRMJL-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.32
Rot. Bonds5

About 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (PubChem CID 71612080) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
PubChem CID71612080
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C23H19N5O/c1-2-29-17-9-6-15(7-10-17)16-8-11-20-18(12-16)23(25-14-24-20)27-21-4-3-5-22-19(21)13-26-28-22/h3-14H,2H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyJTUOQTSUUNRMJL-UHFFFAOYSA-N
XLogP5.32
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (CID 71612080) is 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is CCOc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The InChIKey is JTUOQTSUUNRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-2-29-17-9-6-15(7-10-17)16-8-11-20-18(12-16)23(25-14-24-20)27-21-4-3-5-22-19(21)13-26-28-22/h3-14H,2H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71612080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).