2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C20H19N5O — CID 170583020

IUPAC2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(C4CCC(=O)N(CC5CC5)C4)nc3c2c1
InChIInChI=1S/C20H19N5O/c21-8-13-3-5-16-15(7-13)19-17(9-22-16)23-20(24-19)14-4-6-18(26)25(11-14)10-12-1-2-12/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24)
InChIKeyCFQRPERKNDKNJM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.10
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 170583020) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID170583020
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(C4CCC(=O)N(CC5CC5)C4)nc3c2c1
InChIInChI=1S/C20H19N5O/c21-8-13-3-5-16-15(7-13)19-17(9-22-16)23-20(24-19)14-4-6-18(26)25(11-14)10-12-1-2-12/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24)
InChIKeyCFQRPERKNDKNJM-UHFFFAOYSA-N
XLogP3.10
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
CID 170583019
2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176873075
oxane;2-[5-oxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582733
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 176873172
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652188
8-chloro-2-cyclobutyl-3H-imidazo[4,5-c]quinoline
CID 150449079
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
3-(6-cyano-1H-benzimidazol-2-yl)azetidine-1-carboxylic acid
CID 67466021
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 170583020) is 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2ncc3[nH]c(C4CCC(=O)N(CC5CC5)C4)nc3c2c1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is CFQRPERKNDKNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-8-13-3-5-16-15(7-13)19-17(9-22-16)23-20(24-19)14-4-6-18(26)25(11-14)10-12-1-2-12/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24).
What are the key properties of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 170583020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).