6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C23H17ClN4O — CID 86766649

IUPAC6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl
InChIInChI=1S/C23H17ClN4O/c1-29-23-8-6-15(12-18(23)24)14-5-7-19-16(11-14)21(9-10-25-19)27-20-3-2-4-22-17(20)13-26-28-22/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyVGDSJGFEMAXXAB-UHFFFAOYSA-N
MW400.87 g/mol
LogP6.18
Rot. Bonds4

About 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766649) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766649
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl
InChIInChI=1S/C23H17ClN4O/c1-29-23-8-6-15(12-18(23)24)14-5-7-19-16(11-14)21(9-10-25-19)27-20-3-2-4-22-17(20)13-26-28-22/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyVGDSJGFEMAXXAB-UHFFFAOYSA-N
XLogP6.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766649) is 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is COc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is VGDSJGFEMAXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-29-23-8-6-15(12-18(23)24)14-5-7-19-16(11-14)21(9-10-25-19)27-20-3-2-4-22-17(20)13-26-28-22/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 400.87 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).