3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea

C26H30N4O6 — CID 650197

IUPAC3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C26H30N4O6/c1-33-22-6-3-2-5-20(22)28-26(32)30(8-4-7-29-9-11-34-12-10-29)16-19-13-18-14-23-24(36-17-35-23)15-21(18)27-25(19)31/h2-3,5-6,13-15H,4,7-12,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyKELYRBSNDKEHBP-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.02
Rot. Bonds8

About 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea

3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea (PubChem CID 650197) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
PubChem CID650197
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C26H30N4O6/c1-33-22-6-3-2-5-20(22)28-26(32)30(8-4-7-29-9-11-34-12-10-29)16-19-13-18-14-23-24(36-17-35-23)15-21(18)27-25(19)31/h2-3,5-6,13-15H,4,7-12,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyKELYRBSNDKEHBP-UHFFFAOYSA-N
XLogP3.02
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea (CID 650197) is 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea is COc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
The InChIKey is KELYRBSNDKEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-33-22-6-3-2-5-20(22)28-26(32)30(8-4-7-29-9-11-34-12-10-29)16-19-13-18-14-23-24(36-17-35-23)15-21(18)27-25(19)31/h2-3,5-6,13-15H,4,7-12,16-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea?
3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea has a molecular weight of 494.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea is sourced from PubChem (CID 650197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).