1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

C23H28N4O2 — CID 651257

IUPAC1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O2/c1-4-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-12-26(2)3)23(29)24-20-8-6-5-7-9-20/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyJBOMHIUVLRMMRT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.69
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 651257) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID651257
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O2/c1-4-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-12-26(2)3)23(29)24-20-8-6-5-7-9-20/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyJBOMHIUVLRMMRT-UHFFFAOYSA-N
XLogP3.69
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 651257) is 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is JBOMHIUVLRMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-12-26(2)3)23(29)24-20-8-6-5-7-9-20/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 392.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 651257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).