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

Analyze 8-(5-methoxy-2-methylanilino)-2-(2-morpholin-4-ylethylamino)-1H-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

Related Compounds

AZ-5104
CID 71496460
2-Aminobenzimidazole, 12
CID 17755723
Branosotine
CID 146450467
2-{[2-(morpholin-4-yl)ethyl]amino}-8-[(3,4,5-trimethoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330117
Anilinoimidazo[4,5-g]quinoline 17
CID 5330119
8-[(4-chloro-5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330122
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581765
5-{2-[4-(3H-Benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy}-2-methylquinoline
CID 10150796
Anilinoimidazo[4,5-g]quinoline 20a
CID 5330120
8-[(5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330121
3-[2-(morpholin-4-yl)ethyl]-8-[(3,4,5-trimethoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330124

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).