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

C27H25N5O2 — CID 91970488

IUPAC8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCCc1cc(-c2ccc3cnn(C)c3c2)cc2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C27H25N5O2/c1-4-16-10-19(17-8-9-18-14-30-32(2)24(18)12-17)11-22-25(16)29-15-23(27(28)33)26(22)31-20-6-5-7-21(13-20)34-3/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31)
InChIKeyPHVOOTSFBKJAJG-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.20
Rot. Bonds6

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

8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (PubChem CID 91970488) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
PubChem CID91970488
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCCc1cc(-c2ccc3cnn(C)c3c2)cc2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C27H25N5O2/c1-4-16-10-19(17-8-9-18-14-30-32(2)24(18)12-17)11-22-25(16)29-15-23(27(28)33)26(22)31-20-6-5-7-21(13-20)34-3/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31)
InChIKeyPHVOOTSFBKJAJG-UHFFFAOYSA-N
XLogP5.20
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (CID 91970488) is 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is CCc1cc(-c2ccc3cnn(C)c3c2)cc2c(Nc3cccc(OC)c3)c(C(N)=O)cnc12.
What is the InChIKey of 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The InChIKey is PHVOOTSFBKJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-4-16-10-19(17-8-9-18-14-30-32(2)24(18)12-17)11-22-25(16)29-15-23(27(28)33)26(22)31-20-6-5-7-21(13-20)34-3/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31).
What are the key properties of 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(3-methoxyanilino)-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 91970488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).