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

C25H21N5O2 — CID 91970487

IUPAC4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccc5cnn(C)c5c4)cc23)c1
InChIInChI=1S/C25H21N5O2/c1-30-23-11-16(6-7-17(23)13-28-30)15-8-9-22-20(10-15)24(21(14-27-22)25(26)31)29-18-4-3-5-19(12-18)32-2/h3-14H,1-2H3,(H2,26,31)(H,27,29)
InChIKeyVNUWACGAODNREK-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.64
Rot. Bonds5

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

4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (PubChem CID 91970487) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
PubChem CID91970487
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccc5cnn(C)c5c4)cc23)c1
InChIInChI=1S/C25H21N5O2/c1-30-23-11-16(6-7-17(23)13-28-30)15-8-9-22-20(10-15)24(21(14-27-22)25(26)31)29-18-4-3-5-19(12-18)32-2/h3-14H,1-2H3,(H2,26,31)(H,27,29)
InChIKeyVNUWACGAODNREK-UHFFFAOYSA-N
XLogP4.64
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (CID 91970487) is 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccc5cnn(C)c5c4)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The InChIKey is VNUWACGAODNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-30-23-11-16(6-7-17(23)13-28-30)15-8-9-22-20(10-15)24(21(14-27-22)25(26)31)29-18-4-3-5-19(12-18)32-2/h3-14H,1-2H3,(H2,26,31)(H,27,29).
What are the key properties of 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 91970487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).