4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide

C26H23N5O2 — CID 91970480

IUPAC4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2c(C)cc(-c3ccc4cnn(C)c4c3)cc12
InChIInChI=1S/C26H23N5O2/c1-15-10-18(16-8-9-17-13-29-31(2)22(17)12-16)11-19-24(15)28-14-20(26(27)32)25(19)30-21-6-4-5-7-23(21)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)
InChIKeyNTCNZOLJYYLLGO-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.95
Rot. Bonds5

About 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide

4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (PubChem CID 91970480) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
PubChem CID91970480
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2c(C)cc(-c3ccc4cnn(C)c4c3)cc12
InChIInChI=1S/C26H23N5O2/c1-15-10-18(16-8-9-17-13-29-31(2)22(17)12-16)11-19-24(15)28-14-20(26(27)32)25(19)30-21-6-4-5-7-23(21)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)
InChIKeyNTCNZOLJYYLLGO-UHFFFAOYSA-N
XLogP4.95
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (CID 91970480) is 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is COc1ccccc1Nc1c(C(N)=O)cnc2c(C)cc(-c3ccc4cnn(C)c4c3)cc12.
What is the InChIKey of 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The InChIKey is NTCNZOLJYYLLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-15-10-18(16-8-9-17-13-29-31(2)22(17)12-16)11-19-24(15)28-14-20(26(27)32)25(19)30-21-6-4-5-7-23(21)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30).
What are the key properties of 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 91970480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).