8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane

C24H34ClN5 — CID 145275425

IUPAC8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane
SMILESCC.CCCCCC.Cn1c(CC2=CNCC=N2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C16H14ClN5.C6H14.C2H6/c1-22-15(7-11-8-18-4-5-19-11)21-14-9-20-13-3-2-10(17)6-12(13)16(14)22;1-3-5-6-4-2;1-2/h2-3,5-6,8-9,18H,4,7H2,1H3;3-6H2,1-2H3;1-2H3
InChIKeySDQHYBGZNDPULB-UHFFFAOYSA-N
MW428.02 g/mol
LogP6.45
Rot. Bonds5

About 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane

8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane (PubChem CID 145275425) has the molecular formula C24H34ClN5 and a molecular weight of 428.02 g/mol. Its IUPAC name is 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane.

Molecular Properties

Compound Name8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane
PubChem CID145275425
Molecular FormulaC24H34ClN5
Molecular Weight428.02 g/mol
Exact Mass427.25
IUPAC Name8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane
SMILESCC.CCCCCC.Cn1c(CC2=CNCC=N2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C16H14ClN5.C6H14.C2H6/c1-22-15(7-11-8-18-4-5-19-11)21-14-9-20-13-3-2-10(17)6-12(13)16(14)22;1-3-5-6-4-2;1-2/h2-3,5-6,8-9,18H,4,7H2,1H3;3-6H2,1-2H3;1-2H3
InChIKeySDQHYBGZNDPULB-UHFFFAOYSA-N
XLogP6.45
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline
CID 145275483
2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane
CID 145275527
8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
CID 142423913
2-(2-butyl-1-methylimidazo[4,5-c]quinolin-8-yl)oxy-1-piperidin-1-ylethanone
CID 141116888
3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126682224
2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795351
2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795435
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole
CID 145275401
1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 145275553
N'-[[8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-yl]methyldiazenyl]ethanimidamide
CID 142423877

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane?
The IUPAC name of 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane (CID 145275425) is 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane.
What is the SMILES notation for 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane?
The canonical SMILES for 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane is CC.CCCCCC.Cn1c(CC2=CNCC=N2)nc2cnc3ccc(Cl)cc3c21.
What is the InChIKey of 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane?
The InChIKey is SDQHYBGZNDPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5.C6H14.C2H6/c1-22-15(7-11-8-18-4-5-19-11)21-14-9-20-13-3-2-10(17)6-12(13)16(14)22;1-3-5-6-4-2;1-2/h2-3,5-6,8-9,18H,4,7H2,1H3;3-6H2,1-2H3;1-2H3.
What are the key properties of 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane?
8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane has a molecular weight of 428.02 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane is sourced from PubChem (CID 145275425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).