2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile

C26H29N7O4 — CID 5330117

IUPAC2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)cc(OC)c1OC
InChIInChI=1S/C26H29N7O4/c1-34-22-10-17(11-23(35-2)25(22)36-3)30-24-16(14-27)15-29-19-13-21-20(12-18(19)24)31-26(32-21)28-4-5-33-6-8-37-9-7-33/h10-13,15H,4-9H2,1-3H3,(H,29,30)(H2,28,31,32)
InChIKeyRSDRZKASGKMFLF-UHFFFAOYSA-N
MW503.56 g/mol
LogP3.50
Rot. Bonds9

About 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile

2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330117) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330117
Molecular FormulaC26H29N7O4
Molecular Weight503.56 g/mol
Exact Mass503.23
IUPAC Name2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)cc(OC)c1OC
InChIInChI=1S/C26H29N7O4/c1-34-22-10-17(11-23(35-2)25(22)36-3)30-24-16(14-27)15-29-19-13-21-20(12-18(19)24)31-26(32-21)28-4-5-33-6-8-37-9-7-33/h10-13,15H,4-9H2,1-3H3,(H,29,30)(H2,28,31,32)
InChIKeyRSDRZKASGKMFLF-UHFFFAOYSA-N
XLogP3.50
TPSA129.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330117) is 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)cc(OC)c1OC.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is RSDRZKASGKMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-34-22-10-17(11-23(35-2)25(22)36-3)30-24-16(14-27)15-29-19-13-21-20(12-18(19)24)31-26(32-21)28-4-5-33-6-8-37-9-7-33/h10-13,15H,4-9H2,1-3H3,(H,29,30)(H2,28,31,32).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile?
2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 503.56 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-8-(3,4,5-trimethoxyanilino)-1H-imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).