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

C24H23ClN6O2 — CID 5330120

IUPAC8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(Cl)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1
InChIInChI=1S/C24H23ClN6O2/c1-32-17-2-3-19(25)21(10-17)29-24-16(13-26)14-27-20-12-23-22(11-18(20)24)28-15-31(23)5-4-30-6-8-33-9-7-30/h2-3,10-12,14-15H,4-9H2,1H3,(H,27,29)
InChIKeyCEQOEOYCGNLAKF-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.19
Rot. Bonds6

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

8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330120) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330120
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1ccc(Cl)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1
InChIInChI=1S/C24H23ClN6O2/c1-32-17-2-3-19(25)21(10-17)29-24-16(13-26)14-27-20-12-23-22(11-18(20)24)28-15-31(23)5-4-30-6-8-33-9-7-30/h2-3,10-12,14-15H,4-9H2,1H3,(H,27,29)
InChIKeyCEQOEOYCGNLAKF-UHFFFAOYSA-N
XLogP4.19
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330120) is 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is COc1ccc(Cl)c(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c1.
What is the InChIKey of 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is CEQOEOYCGNLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-32-17-2-3-19(25)21(10-17)29-24-16(13-26)14-27-20-12-23-22(11-18(20)24)28-15-31(23)5-4-30-6-8-33-9-7-30/h2-3,10-12,14-15H,4-9H2,1H3,(H,27,29).
What are the key properties of 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 462.94 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-methoxyanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).