N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide

C20H25N3O3 — CID 166373542

IUPACN-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide
SMILESCC(CO)C(=O)N1CCC(C)(CNC(=O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C20H25N3O3/c1-14(11-24)19(26)23-9-7-20(2,13-23)12-22-18(25)16-6-5-15-4-3-8-21-17(15)10-16/h3-6,8,10,14,24H,7,9,11-13H2,1-2H3,(H,22,25)
InChIKeyIUMAAKUQSJKJBY-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.83
Rot. Bonds5

About N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide

N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide (PubChem CID 166373542) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide
PubChem CID166373542
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide
SMILESCC(CO)C(=O)N1CCC(C)(CNC(=O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C20H25N3O3/c1-14(11-24)19(26)23-9-7-20(2,13-23)12-22-18(25)16-6-5-15-4-3-8-21-17(15)10-16/h3-6,8,10,14,24H,7,9,11-13H2,1-2H3,(H,22,25)
InChIKeyIUMAAKUQSJKJBY-UHFFFAOYSA-N
XLogP1.83
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The IUPAC name of N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide (CID 166373542) is N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The canonical SMILES for N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide is CC(CO)C(=O)N1CCC(C)(CNC(=O)c2ccc3cccnc3c2)C1.
What is the InChIKey of N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
The InChIKey is IUMAAKUQSJKJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(11-24)19(26)23-9-7-20(2,13-23)12-22-18(25)16-6-5-15-4-3-8-21-17(15)10-16/h3-6,8,10,14,24H,7,9,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide?
N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 166373542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).