1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea

C24H23ClN4O3 — CID 164563310

IUPAC1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc3cc(C4CCC(=O)NC4=O)c(C)nc3c2)cc1Cl
InChIInChI=1S/C24H23ClN4O3/c1-13-3-6-17(11-20(13)25)28-24(32)26-12-15-4-5-16-10-19(14(2)27-21(16)9-15)18-7-8-22(30)29-23(18)31/h3-6,9-11,18H,7-8,12H2,1-2H3,(H2,26,28,32)(H,29,30,31)
InChIKeyVGVWLKMYNOJMCC-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea

1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea (PubChem CID 164563310) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
PubChem CID164563310
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc3cc(C4CCC(=O)NC4=O)c(C)nc3c2)cc1Cl
InChIInChI=1S/C24H23ClN4O3/c1-13-3-6-17(11-20(13)25)28-24(32)26-12-15-4-5-16-10-19(14(2)27-21(16)9-15)18-7-8-22(30)29-23(18)31/h3-6,9-11,18H,7-8,12H2,1-2H3,(H2,26,28,32)(H,29,30,31)
InChIKeyVGVWLKMYNOJMCC-UHFFFAOYSA-N
XLogP4.35
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]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-(3-chloro-4-methylphenyl)-3-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]urea
CID 86344128
1-(3-chloro-4-methylphenyl)-3-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 121225589
1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170155963
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670
1-(3,4-dimethylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]methyl]urea
CID 151327500
1-(3-chloro-4-methylphenyl)-3-[[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,5-dioxopyrrol-3-yl]oxyphenyl]methyl]urea
CID 167099940
1-(3-chloro-4-methylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 135291349
1-(3-chloro-4-methylphenyl)-3-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]urea
CID 171851978
3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
CID 177017366
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)urea
CID 51168538
N-[[3-chloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-pyridin-4-ylpropanamide
CID 176846930
1-(3-chloro-4-fluorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea;1-(3,4-dimethylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 134204631

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea (CID 164563310) is 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea is Cc1ccc(NC(=O)NCc2ccc3cc(C4CCC(=O)NC4=O)c(C)nc3c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea?
The InChIKey is VGVWLKMYNOJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-13-3-6-17(11-20(13)25)28-24(32)26-12-15-4-5-16-10-19(14(2)27-21(16)9-15)18-7-8-22(30)29-23(18)31/h3-6,9-11,18H,7-8,12H2,1-2H3,(H2,26,28,32)(H,29,30,31).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea?
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea has a molecular weight of 450.93 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea is sourced from PubChem (CID 164563310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).