6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

C23H19N5O2 — CID 71610847

IUPAC6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1OC
InChIInChI=1S/C23H19N5O2/c1-29-21-8-3-5-15(22(21)30-2)14-9-10-18-16(11-14)23(25-13-24-18)27-19-6-4-7-20-17(19)12-26-28-20/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyYFIHHMAQYZRSSI-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.93
Rot. Bonds5

About 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine

6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (PubChem CID 71610847) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
PubChem CID71610847
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1OC
InChIInChI=1S/C23H19N5O2/c1-29-21-8-3-5-15(22(21)30-2)14-9-10-18-16(11-14)23(25-13-24-18)27-19-6-4-7-20-17(19)12-26-28-20/h3-13H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyYFIHHMAQYZRSSI-UHFFFAOYSA-N
XLogP4.93
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine (CID 71610847) is 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
The InChIKey is YFIHHMAQYZRSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-29-21-8-3-5-15(22(21)30-2)14-9-10-18-16(11-14)23(25-13-24-18)27-19-6-4-7-20-17(19)12-26-28-20/h3-13H,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine?
6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine has a molecular weight of 397.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71610847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).