1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea

C24H28N4O4 — CID 3213516

IUPAC1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
SMILESCc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1
InChIInChI=1S/C24H28N4O4/c1-16-5-7-19(8-6-16)25-24(30)28(10-4-9-27(2)3)14-18-11-17-12-21-22(32-15-31-21)13-20(17)26-23(18)29/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyWPOLPZBSOZFVGA-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.55
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea

1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea (PubChem CID 3213516) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
PubChem CID3213516
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
SMILESCc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1
InChIInChI=1S/C24H28N4O4/c1-16-5-7-19(8-6-16)25-24(30)28(10-4-9-27(2)3)14-18-11-17-12-21-22(32-15-31-21)13-20(17)26-23(18)29/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyWPOLPZBSOZFVGA-UHFFFAOYSA-N
XLogP3.55
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-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

Jte-907
CID 9867770
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 23555607
N-(1,3-benzodioxol-5-ylmethyl)-8-ethoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 23555616
4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide
CID 6918243
5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one
CID 36331
1-(1,3-Benzodioxol-5-yl)-3-[4-(difluoromethoxy)-2-methylphenyl]urea
CID 969913
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)urea
CID 6470253
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497309
1-(1,3-Benzodioxol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 17282505
1-[1-(1,3-Benzodioxol-5-yl)ethyl]-3-(2-ethylphenyl)urea
CID 24818664
1-allyl-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679959
4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
CID 675027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea (CID 3213516) is 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea is Cc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The InChIKey is WPOLPZBSOZFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-5-7-19(8-6-16)25-24(30)28(10-4-9-27(2)3)14-18-11-17-12-21-22(32-15-31-21)13-20(17)26-23(18)29/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea has a molecular weight of 436.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea is sourced from PubChem (CID 3213516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).