3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine

C18H16N4 — CID 142789179

IUPAC3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine
SMILESCc1c(-c2cccc3c2cnn3C)nc2ccccc2c1N
InChIInChI=1S/C18H16N4/c1-11-17(19)13-6-3-4-8-15(13)21-18(11)12-7-5-9-16-14(12)10-20-22(16)2/h3-10H,1-2H3,(H2,19,21)
InChIKeyPEEOTQPFXUIJIO-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.68
Rot. Bonds1

About 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine

3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine (PubChem CID 142789179) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine
PubChem CID142789179
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine
SMILESCc1c(-c2cccc3c2cnn3C)nc2ccccc2c1N
InChIInChI=1S/C18H16N4/c1-11-17(19)13-6-3-4-8-15(13)21-18(11)12-7-5-9-16-14(12)10-20-22(16)2/h3-10H,1-2H3,(H2,19,21)
InChIKeyPEEOTQPFXUIJIO-UHFFFAOYSA-N
XLogP3.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine?
The IUPAC name of 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine (CID 142789179) is 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine?
The canonical SMILES for 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine is Cc1c(-c2cccc3c2cnn3C)nc2ccccc2c1N.
What is the InChIKey of 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine?
The InChIKey is PEEOTQPFXUIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-11-17(19)13-6-3-4-8-15(13)21-18(11)12-7-5-9-16-14(12)10-20-22(16)2/h3-10H,1-2H3,(H2,19,21).
What are the key properties of 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine?
3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 142789179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).