8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline

C20H25N5 — CID 110132088

IUPAC8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline
SMILESCN1CCN(Cc2ccn[nH]2)CC(Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H25N5/c1-24-10-11-25(15-19-7-9-22-23-19)14-16(13-24)12-18-5-2-4-17-6-3-8-21-20(17)18/h2-9,16H,10-15H2,1H3,(H,22,23)
InChIKeyCZOFTVGFBCCRHA-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.56
Rot. Bonds4

About 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline

8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline (PubChem CID 110132088) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline
PubChem CID110132088
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline
SMILESCN1CCN(Cc2ccn[nH]2)CC(Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H25N5/c1-24-10-11-25(15-19-7-9-22-23-19)14-16(13-24)12-18-5-2-4-17-6-3-8-21-20(17)18/h2-9,16H,10-15H2,1H3,(H,22,23)
InChIKeyCZOFTVGFBCCRHA-UHFFFAOYSA-N
XLogP2.56
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline with MolForge

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Related Compounds

5-[[(6R)-4-methyl-6-(quinolin-8-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 124997059
1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 110098814
1-[(6S)-4-[(3-pyrimidin-2-yloxyphenyl)methyl]-6-(quinolin-8-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 125020112
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(6S)-4-methyl-6-(quinolin-8-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 129456635
2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
1-[[3-[(6R)-4-methyl-6-(quinolin-8-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129453768
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
CID 92566378

Frequently Asked Questions

What is the IUPAC name of 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline?
The IUPAC name of 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline (CID 110132088) is 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline.
What is the SMILES notation for 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline?
The canonical SMILES for 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline is CN1CCN(Cc2ccn[nH]2)CC(Cc2cccc3cccnc23)C1.
What is the InChIKey of 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline?
The InChIKey is CZOFTVGFBCCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-24-10-11-25(15-19-7-9-22-23-19)14-16(13-24)12-18-5-2-4-17-6-3-8-21-20(17)18/h2-9,16H,10-15H2,1H3,(H,22,23).
What are the key properties of 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline?
8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline has a molecular weight of 335.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-methyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-6-yl]methyl]quinoline is sourced from PubChem (CID 110132088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).