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

C25H25ClN6O2 — CID 5330122

IUPAC8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C25H25ClN6O2/c1-16-9-19(26)24(33-2)12-20(16)30-25-17(13-27)14-28-21-11-23-22(10-18(21)25)29-15-32(23)4-3-31-5-7-34-8-6-31/h9-12,14-15H,3-8H2,1-2H3,(H,28,30)
InChIKeyFIWABDXXOFQUGQ-UHFFFAOYSA-N
MW476.97 g/mol
LogP4.50
Rot. Bonds6

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

8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 5330122) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID5330122
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c(C)cc1Cl
InChIInChI=1S/C25H25ClN6O2/c1-16-9-19(26)24(33-2)12-20(16)30-25-17(13-27)14-28-21-11-23-22(10-18(21)25)29-15-32(23)4-3-31-5-7-34-8-6-31/h9-12,14-15H,3-8H2,1-2H3,(H,28,30)
InChIKeyFIWABDXXOFQUGQ-UHFFFAOYSA-N
XLogP4.50
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330118
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
8-[(2-bromo-4-chloro-5-methoxyphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330123
3-[2-(morpholin-4-yl)ethyl]-8-[(3,4,5-trimethoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330124
4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-imidazol-1-ylmethyl-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide
CID 11398437
N4-(2-chloro-6-methylphenyl)-8-methoxy-N7-(2-morpholinoethyl)imidazo[1,5-a]quinoxaline-4,7-diamine
CID 44337509
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 19a
CID 5330499
2-{2-Chloro-4-[3-cyano-6-(4-dimethylamino-but-2-enoylamino)-7-ethoxy-quinolin-4-ylamino]-phenoxymethyl}-1-methyl-3H-imidazol-1-ium
CID 11180494
N-[4-(4-Benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-3-(1H-imidazol-4-yl)-acrylamide
CID 44388494
6-((1H-imidazol-4-yl)methylamino)-4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinoline-3-carbonitrile
CID 44420088
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 163473289

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile (CID 5330122) is 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc4c(cc23)ncn4CCN2CCOCC2)c(C)cc1Cl.
What is the InChIKey of 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is FIWABDXXOFQUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-16-9-19(26)24(33-2)12-20(16)30-25-17(13-27)14-28-21-11-23-22(10-18(21)25)29-15-32(23)4-3-31-5-7-34-8-6-31/h9-12,14-15H,3-8H2,1-2H3,(H,28,30).
What are the key properties of 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile?
8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 476.97 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-5-methoxy-2-methylanilino)-3-(2-morpholin-4-ylethyl)imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 5330122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).