1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

C21H25N3O3 — CID 18952413

IUPAC1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-21(2)13-19(25)24-18-12-15(6-9-17(18)21)23-20(26)22-11-10-14-4-7-16(27-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyMSSGWCACQKNOLK-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.68
Rot. Bonds5

About 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 18952413) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID18952413
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-21(2)13-19(25)24-18-12-15(6-9-17(18)21)23-20(26)22-11-10-14-4-7-16(27-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3,(H,24,25)(H2,22,23,26)
InChIKeyMSSGWCACQKNOLK-UHFFFAOYSA-N
XLogP3.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea 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-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30377507
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71940975
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 18952413) is 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1.
What is the InChIKey of 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is MSSGWCACQKNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2)13-19(25)24-18-12-15(6-9-17(18)21)23-20(26)22-11-10-14-4-7-16(27-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 18952413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).