4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

C22H26N4O4 — CID 118414802

IUPAC4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OCC3CCN(C(=O)CC#N)CC3)ccnc2cc1C(N)=O
InChIInChI=1S/C22H26N4O4/c1-14(2)30-20-12-16-18(11-17(20)22(24)28)25-8-4-19(16)29-13-15-5-9-26(10-6-15)21(27)3-7-23/h4,8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3,(H2,24,28)
InChIKeyCABUZYWFNLUXRH-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.65
Rot. Bonds7

About 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide

4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 118414802) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID118414802
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(OCC3CCN(C(=O)CC#N)CC3)ccnc2cc1C(N)=O
InChIInChI=1S/C22H26N4O4/c1-14(2)30-20-12-16-18(11-17(20)22(24)28)25-8-4-19(16)29-13-15-5-9-26(10-6-15)21(27)3-7-23/h4,8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3,(H2,24,28)
InChIKeyCABUZYWFNLUXRH-UHFFFAOYSA-N
XLogP2.65
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide with MolForge

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Related Compounds

4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 118414683
4-[[(4R)-1,3-dioxolan-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 125495856
4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 168854215
4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
CID 126573701
1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 125495422
1-(3-acetamidopyrrolidin-1-yl)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 138679816
1-(oxolan-2-ylmethoxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972445
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
CID 134487367
1-[1-(2-cyanoacetyl)piperidin-3-yl]oxy-4-[2-(4-hydroxypiperidin-4-yl)ethynyl]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 170427232
1-[1-(2-cyanoacetyl)piperidin-3-yl]oxy-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 170426388
1-[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]sulfonyl-7-methoxyisoquinoline-6-carboxamide
CID 142580685

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide (CID 118414802) is 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(OCC3CCN(C(=O)CC#N)CC3)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is CABUZYWFNLUXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14(2)30-20-12-16-18(11-17(20)22(24)28)25-8-4-19(16)29-13-15-5-9-26(10-6-15)21(27)3-7-23/h4,8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3,(H2,24,28).
What are the key properties of 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide?
4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 118414802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).