8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile

C25H27N7O2 — CID 5330118

IUPAC8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)c1
InChIInChI=1S/C25H27N7O2/c1-16-3-4-18(33-2)11-20(16)29-24-17(14-26)15-28-21-13-23-22(12-19(21)24)30-25(31-23)27-5-6-32-7-9-34-10-8-32/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyWPYJUTQUGYKHKX-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.79
Rot. Bonds7

About 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile

8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330118) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330118
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)c1
InChIInChI=1S/C25H27N7O2/c1-16-3-4-18(33-2)11-20(16)29-24-17(14-26)15-28-21-13-23-22(12-19(21)24)30-25(31-23)27-5-6-32-7-9-34-10-8-32/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyWPYJUTQUGYKHKX-UHFFFAOYSA-N
XLogP3.79
TPSA111.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330118) is 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile is COc1ccc(C)c(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)c1.
What is the InChIKey of 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is WPYJUTQUGYKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-16-3-4-18(33-2)11-20(16)29-24-17(14-26)15-28-21-13-23-22(12-19(21)24)30-25(31-23)27-5-6-32-7-9-34-10-8-32/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 457.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).