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

C26H23N5O2 — CID 91970476

IUPAC4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)c1
InChIInChI=1S/C26H23N5O2/c1-15-9-18(16-7-8-17-13-29-31(2)23(17)11-16)10-21-24(15)28-14-22(26(27)32)25(21)30-19-5-4-6-20(12-19)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)
InChIKeyYLVFCOMEWFCJKA-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.95
Rot. Bonds5

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

4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (PubChem CID 91970476) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
PubChem CID91970476
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)c1
InChIInChI=1S/C26H23N5O2/c1-15-9-18(16-7-8-17-13-29-31(2)23(17)11-16)10-21-24(15)28-14-22(26(27)32)25(21)30-19-5-4-6-20(12-19)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)
InChIKeyYLVFCOMEWFCJKA-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-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (CID 91970476) is 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The InChIKey is YLVFCOMEWFCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-15-9-18(16-7-8-17-13-29-31(2)23(17)11-16)10-21-24(15)28-14-22(26(27)32)25(21)30-19-5-4-6-20(12-19)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30).
What are the key properties of 4-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
4-(3-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-(3-methoxyanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 91970476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).