N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide

C21H23N3O2 — CID 51095636

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3[nH]2)N(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-14-8-10-15(11-9-14)19(24(2)3)13-22-21(26)18-12-20(25)16-6-4-5-7-17(16)23-18/h4-12,19H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUTXHSUHCRKXUCN-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 51095636) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID51095636
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3[nH]2)N(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-14-8-10-15(11-9-14)19(24(2)3)13-22-21(26)18-12-20(25)16-6-4-5-7-17(16)23-18/h4-12,19H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyUTXHSUHCRKXUCN-UHFFFAOYSA-N
XLogP2.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide (CID 51095636) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide is Cc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3[nH]2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is UTXHSUHCRKXUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-8-10-15(11-9-14)19(24(2)3)13-22-21(26)18-12-20(25)16-6-4-5-7-17(16)23-18/h4-12,19H,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 51095636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).