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

C23H28N4O2 — CID 3195113

IUPAC1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O2/c1-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyHYQJPAOOYRPILU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.82
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 3195113) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID3195113
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C23H28N4O2/c1-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyHYQJPAOOYRPILU-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)propyl]-1-[(6-methyl-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

Related Compounds

1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195120
1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1449396
dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium
CID 7141150
dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
CID 7141144
1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 655825
3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
CID 7141157
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-phenylurea
CID 3194971
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449583
1-[2-(dimethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea
CID 1166152
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462424
3-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195124
3-(4-chlorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449582

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 3195113) is 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is Cc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is HYQJPAOOYRPILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 392.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 3195113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).