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

C24H20N4O2 — CID 86766647

IUPAC6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1OC
InChIInChI=1S/C24H20N4O2/c1-29-23-9-7-16(13-24(23)30-2)15-6-8-19-17(12-15)21(10-11-25-19)27-20-4-3-5-22-18(20)14-26-28-22/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKQKPLQROQOPNSH-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.54
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766647) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766647
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1OC
InChIInChI=1S/C24H20N4O2/c1-29-23-9-7-16(13-24(23)30-2)15-6-8-19-17(12-15)21(10-11-25-19)27-20-4-3-5-22-18(20)14-26-28-22/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChIKeyKQKPLQROQOPNSH-UHFFFAOYSA-N
XLogP5.54
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766647) is 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is COc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is KQKPLQROQOPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-29-23-9-7-16(13-24(23)30-2)15-6-8-19-17(12-15)21(10-11-25-19)27-20-4-3-5-22-18(20)14-26-28-22/h3-14H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 396.45 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).