2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C18H15N7O2 — CID 176652188

IUPAC2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(Cc4noc(N5CC[C@@H](O)C5)n4)nc3c2c1
InChIInChI=1S/C18H15N7O2/c19-7-10-1-2-13-12(5-10)17-14(8-20-13)21-15(22-17)6-16-23-18(27-24-16)25-4-3-11(26)9-25/h1-2,5,8,11,26H,3-4,6,9H2,(H,21,22)/t11-/m1/s1
InChIKeyOFAQBHNQUAFSQT-LLVKDONJSA-N
MW361.37 g/mol
LogP1.53
Rot. Bonds3

About 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 176652188) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID176652188
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(Cc4noc(N5CC[C@@H](O)C5)n4)nc3c2c1
InChIInChI=1S/C18H15N7O2/c19-7-10-1-2-13-12(5-10)17-14(8-20-13)21-15(22-17)6-16-23-18(27-24-16)25-4-3-11(26)9-25/h1-2,5,8,11,26H,3-4,6,9H2,(H,21,22)/t11-/m1/s1
InChIKeyOFAQBHNQUAFSQT-LLVKDONJSA-N
XLogP1.53
TPSA127.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile with MolForge

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 176873172
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675
2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176873075
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583020
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 176873283
3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 126712345
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 176873022
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
CID 170583019
3-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 63092952
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 176652188) is 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2ncc3[nH]c(Cc4noc(N5CC[C@@H](O)C5)n4)nc3c2c1.
What is the InChIKey of 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is OFAQBHNQUAFSQT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15N7O2/c19-7-10-1-2-13-12(5-10)17-14(8-20-13)21-15(22-17)6-16-23-18(27-24-16)25-4-3-11(26)9-25/h1-2,5,8,11,26H,3-4,6,9H2,(H,21,22)/t11-/m1/s1.
What are the key properties of 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 361.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 176652188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).