1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea

C26H32N6O3 — CID 163286355

IUPAC1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC(C)CN(C)C)cc4)cc3c21
InChIInChI=1S/C26H32N6O3/c1-17(16-30(2)3)28-25(33)29-20-9-6-18(7-10-20)19-8-11-22-21(14-19)24-23(15-27-22)31(4)26(34)32(24)12-13-35-5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,28,29,33)
InChIKeyOZJMIGQTICRRME-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.27
Rot. Bonds8

About 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea

1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (PubChem CID 163286355) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
PubChem CID163286355
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC(C)CN(C)C)cc4)cc3c21
InChIInChI=1S/C26H32N6O3/c1-17(16-30(2)3)28-25(33)29-20-9-6-18(7-10-20)19-8-11-22-21(14-19)24-23(15-27-22)31(4)26(34)32(24)12-13-35-5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,28,29,33)
InChIKeyOZJMIGQTICRRME-UHFFFAOYSA-N
XLogP3.27
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]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 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (CID 163286355) is 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC(C)CN(C)C)cc4)cc3c21.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The InChIKey is OZJMIGQTICRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17(16-30(2)3)28-25(33)29-20-9-6-18(7-10-20)19-8-11-22-21(14-19)24-23(15-27-22)31(4)26(34)32(24)12-13-35-5/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,28,29,33).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea has a molecular weight of 476.58 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is sourced from PubChem (CID 163286355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).