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

C26H28N6O4 — CID 5330124

IUPAC3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O4/c1-33-23-10-18(11-24(34-2)26(23)35-3)30-25-17(14-27)15-28-20-13-22-21(12-19(20)25)29-16-32(22)5-4-31-6-8-36-9-7-31/h10-13,15-16H,4-9H2,1-3H3,(H,28,30)
InChIKeyUKOIZHVRMHBXCU-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.56
Rot. Bonds8

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

3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330124) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330124
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O4/c1-33-23-10-18(11-24(34-2)26(23)35-3)30-25-17(14-27)15-28-20-13-22-21(12-19(20)25)29-16-32(22)5-4-31-6-8-36-9-7-31/h10-13,15-16H,4-9H2,1-3H3,(H,28,30)
InChIKeyUKOIZHVRMHBXCU-UHFFFAOYSA-N
XLogP3.56
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330124) is 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is UKOIZHVRMHBXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-33-23-10-18(11-24(34-2)26(23)35-3)30-25-17(14-27)15-28-20-13-22-21(12-19(20)25)29-16-32(22)5-4-31-6-8-36-9-7-31/h10-13,15-16H,4-9H2,1-3H3,(H,28,30).
What are the key properties of 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile?
3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 488.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-8-(3,4,5-trimethoxyanilino)imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).