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

C26H31N5O2 — CID 170583019

IUPAC2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
SMILESC[C@@H]1CCCCO1.N#Cc1ccc2ncc3[nH]c(C4CCC(=O)N(CC5CC5)C4)nc3c2c1
InChIInChI=1S/C20H19N5O.C6H12O/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;1-6-4-2-3-5-7-6/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyABGWZBKZAKODOI-FCXZQVPUSA-N
MW445.57 g/mol
LogP4.67
Rot. Bonds3

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

2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane (PubChem CID 170583019) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
PubChem CID170583019
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
SMILESC[C@@H]1CCCCO1.N#Cc1ccc2ncc3[nH]c(C4CCC(=O)N(CC5CC5)C4)nc3c2c1
InChIInChI=1S/C20H19N5O.C6H12O/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;1-6-4-2-3-5-7-6/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyABGWZBKZAKODOI-FCXZQVPUSA-N
XLogP4.67
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane with MolForge

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Related Compounds

2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583020
2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176873075
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
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
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652188
1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 170389076
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane?
The IUPAC name of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane (CID 170583019) is 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane is C[C@@H]1CCCCO1.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;(2R)-2-methyloxane?
The InChIKey is ABGWZBKZAKODOI-FCXZQVPUSA-N. The full InChI is InChI=1S/C20H19N5O.C6H12O/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;1-6-4-2-3-5-7-6/h3,5,7,9,12,14H,1-2,4,6,10-11H2,(H,23,24);6H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of 2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane?
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane has a molecular weight of 445.57 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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;(2R)-2-methyloxane is sourced from PubChem (CID 170583019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).