N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide

C22H25N3O2 — CID 86286950

IUPACN-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCN1C(=O)CC(CNC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-19(20)17(14-21(24)26)15-23-22(27)16-8-10-18(11-9-16)25-12-4-5-13-25/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,23,27)
InChIKeyMPUSEPXBCLTQDI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.17
Rot. Bonds4

About N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 86286950) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID86286950
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCN1C(=O)CC(CNC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-19(20)17(14-21(24)26)15-23-22(27)16-8-10-18(11-9-16)25-12-4-5-13-25/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,23,27)
InChIKeyMPUSEPXBCLTQDI-UHFFFAOYSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide (CID 86286950) is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide is CN1C(=O)CC(CNC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is MPUSEPXBCLTQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-20-7-3-2-6-19(20)17(14-21(24)26)15-23-22(27)16-8-10-18(11-9-16)25-12-4-5-13-25/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,23,27).
What are the key properties of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 86286950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).