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

C23H18N4O — CID 86766657

IUPACN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H18N4O/c1-28-17-5-2-4-15(12-17)16-8-9-20-18(13-16)22(10-11-24-20)26-21-6-3-7-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyIKXJOEAHXPIXTE-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.53
Rot. Bonds4

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

N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine (PubChem CID 86766657) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine
PubChem CID86766657
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C23H18N4O/c1-28-17-5-2-4-15(12-17)16-8-9-20-18(13-16)22(10-11-24-20)26-21-6-3-7-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyIKXJOEAHXPIXTE-UHFFFAOYSA-N
XLogP5.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine?
The IUPAC name of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine (CID 86766657) is N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine is COc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine?
The InChIKey is IKXJOEAHXPIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-17-5-2-4-15(12-17)16-8-9-20-18(13-16)22(10-11-24-20)26-21-6-3-7-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine?
N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 86766657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).