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

C21H23N5O2 — CID 154993592

IUPAC4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C21H23N5O2/c1-21(28-3)6-8-26(9-7-21)19-16-10-14(15-12-23-25(2)13-15)4-5-18(16)24-20(27)17(19)11-22/h4-5,10,12-13H,6-9H2,1-3H3,(H,24,27)
InChIKeyOVXMPWBAKXABDF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.81
Rot. Bonds3

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

4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 154993592) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID154993592
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C21H23N5O2/c1-21(28-3)6-8-26(9-7-21)19-16-10-14(15-12-23-25(2)13-15)4-5-18(16)24-20(27)17(19)11-22/h4-5,10,12-13H,6-9H2,1-3H3,(H,24,27)
InChIKeyOVXMPWBAKXABDF-UHFFFAOYSA-N
XLogP2.81
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
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
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
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-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-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
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708367
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 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile (CID 154993592) is 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(-c4cnn(C)c4)cc23)CC1.
What is the InChIKey of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is OVXMPWBAKXABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(28-3)6-8-26(9-7-21)19-16-10-14(15-12-23-25(2)13-15)4-5-18(16)24-20(27)17(19)11-22/h4-5,10,12-13H,6-9H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile?
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 154993592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).