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

C25H26N6O2 — CID 5330121

IUPAC8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1
InChIInChI=1S/C25H26N6O2/c1-17-3-4-19(32-2)11-21(17)29-25-18(14-26)15-27-22-13-24-23(12-20(22)25)28-16-31(24)6-5-30-7-9-33-10-8-30/h3-4,11-13,15-16H,5-10H2,1-2H3,(H,27,29)
InChIKeyQZNNCWRNJVXQIQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.85
Rot. Bonds6

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

8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330121) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330121
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1
InChIInChI=1S/C25H26N6O2/c1-17-3-4-19(32-2)11-21(17)29-25-18(14-26)15-27-22-13-24-23(12-20(22)25)28-16-31(24)6-5-30-7-9-33-10-8-30/h3-4,11-13,15-16H,5-10H2,1-2H3,(H,27,29)
InChIKeyQZNNCWRNJVXQIQ-UHFFFAOYSA-N
XLogP3.85
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330121) is 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is COc1ccc(C)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1.
What is the InChIKey of 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is QZNNCWRNJVXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-3-4-19(32-2)11-21(17)29-25-18(14-26)15-27-22-13-24-23(12-20(22)25)28-16-31(24)6-5-30-7-9-33-10-8-30/h3-4,11-13,15-16H,5-10H2,1-2H3,(H,27,29).
What are the key properties of 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 442.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).