1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone

C18H18N4O — CID 110111486

IUPAC1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C18H18N4O/c23-18(17-10-19-12-21-17)22-6-5-13(11-22)7-14-8-15-3-1-2-4-16(15)20-9-14/h1-4,8-10,12-13H,5-7,11H2,(H,19,21)
InChIKeyAVFXQTPSZLDOSV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.66
Rot. Bonds3

About 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone

1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 110111486) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID110111486
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C18H18N4O/c23-18(17-10-19-12-21-17)22-6-5-13(11-22)7-14-8-15-3-1-2-4-16(15)20-9-14/h1-4,8-10,12-13H,5-7,11H2,(H,19,21)
InChIKeyAVFXQTPSZLDOSV-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 132766947
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 110111486) is 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cnc[nH]1)N1CCC(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AVFXQTPSZLDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(17-10-19-12-21-17)22-6-5-13(11-22)7-14-8-15-3-1-2-4-16(15)20-9-14/h1-4,8-10,12-13H,5-7,11H2,(H,19,21).
What are the key properties of 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110111486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).