8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline

C18H16ClN5 — CID 145275483

IUPAC8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline
SMILESCn1c(Cc2cc3n(n2)CCC3)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C18H16ClN5/c1-23-17(9-12-8-13-3-2-6-24(13)22-12)21-16-10-20-15-5-4-11(19)7-14(15)18(16)23/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyGYCAJDPVUVUWGI-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.51
Rot. Bonds2

About 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline

8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline (PubChem CID 145275483) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline
PubChem CID145275483
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline
SMILESCn1c(Cc2cc3n(n2)CCC3)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C18H16ClN5/c1-23-17(9-12-8-13-3-2-6-24(13)22-12)21-16-10-20-15-5-4-11(19)7-14(15)18(16)23/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyGYCAJDPVUVUWGI-UHFFFAOYSA-N
XLogP3.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-2-(1,2-dihydropyrazin-5-ylmethyl)-1-methylimidazo[4,5-c]quinoline;ethane;hexane
CID 145275425
8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
CID 142423913
1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 145275553
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
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
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
3-[(8-chloro-1-methylimidazo[4,5-c]quinolin-2-yl)-fluoromethyl]-1,2-oxazole
CID 145275401
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126682224
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline (CID 145275483) is 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline is Cn1c(Cc2cc3n(n2)CCC3)nc2cnc3ccc(Cl)cc3c21.
What is the InChIKey of 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline?
The InChIKey is GYCAJDPVUVUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-23-17(9-12-8-13-3-2-6-24(13)22-12)21-16-10-20-15-5-4-11(19)7-14(15)18(16)23/h4-5,7-8,10H,2-3,6,9H2,1H3.
What are the key properties of 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline?
8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline has a molecular weight of 337.81 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-methylimidazo[4,5-c]quinoline is sourced from PubChem (CID 145275483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).