N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H25N3O2 — CID 166370652

IUPACN-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CN(C)CCNC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)14-24(2)12-11-22-21(26)18-13-20(25)23-19-6-4-3-5-17(18)19/h3-10,18H,11-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKPGPUDQBAONECW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 166370652) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID166370652
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CN(C)CCNC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)14-24(2)12-11-22-21(26)18-13-20(25)23-19-6-4-3-5-17(18)19/h3-10,18H,11-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKPGPUDQBAONECW-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 166370652) is N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1ccc(CN(C)CCNC(=O)C2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KPGPUDQBAONECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-9-16(10-8-15)14-24(2)12-11-22-21(26)18-13-20(25)23-19-6-4-3-5-17(18)19/h3-10,18H,11-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166370652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).