6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

C21H25N3O3 — CID 166985710

IUPAC6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C4(O)CCC4)cc23)CC1
InChIInChI=1S/C21H25N3O3/c1-20(27-2)8-10-24(11-9-20)18-15-12-14(21(26)6-3-7-21)4-5-17(15)23-19(25)16(18)13-22/h4-5,12,26H,3,6-11H2,1-2H3,(H,23,25)
InChIKeyMUDVETIUGDJXBB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.78
Rot. Bonds3

About 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 166985710) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID166985710
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C4(O)CCC4)cc23)CC1
InChIInChI=1S/C21H25N3O3/c1-20(27-2)8-10-24(11-9-20)18-15-12-14(21(26)6-3-7-21)4-5-17(15)23-19(25)16(18)13-22/h4-5,12,26H,3,6-11H2,1-2H3,(H,23,25)
InChIKeyMUDVETIUGDJXBB-UHFFFAOYSA-N
XLogP2.78
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993592
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one
CID 163872072
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 165003728
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993581
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
CID 138518224
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708397
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (CID 166985710) is 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C4(O)CCC4)cc23)CC1.
What is the InChIKey of 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is MUDVETIUGDJXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-20(27-2)8-10-24(11-9-20)18-15-12-14(21(26)6-3-7-21)4-5-17(15)23-19(25)16(18)13-22/h4-5,12,26H,3,6-11H2,1-2H3,(H,23,25).
What are the key properties of 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 166985710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).