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

C26H30N6O3 — CID 163286352

IUPAC1-[2-(azetidin-1-yl)ethyl]-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)NCCN5CCC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-23-17-28-22-9-6-19(16-21(22)24(23)32(26(30)34)14-15-35-2)18-4-7-20(8-5-18)29-25(33)27-10-13-31-11-3-12-31/h4-9,16-17H,3,10-15H2,1-2H3,(H2,27,29,33)
InChIKeyOLKSCWBVRFPFNV-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.03
Rot. Bonds8

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

1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (PubChem CID 163286352) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
PubChem CID163286352
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[2-(azetidin-1-yl)ethyl]-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)NCCN5CCC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-23-17-28-22-9-6-19(16-21(22)24(23)32(26(30)34)14-15-35-2)18-4-7-20(8-5-18)29-25(33)27-10-13-31-11-3-12-31/h4-9,16-17H,3,10-15H2,1-2H3,(H2,27,29,33)
InChIKeyOLKSCWBVRFPFNV-UHFFFAOYSA-N
XLogP3.03
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The IUPAC name of 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (CID 163286352) is 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.
What is the SMILES notation for 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The canonical SMILES for 1-[2-(azetidin-1-yl)ethyl]-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)NCCN5CCC5)cc4)cc3c21.
What is the InChIKey of 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The InChIKey is OLKSCWBVRFPFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-30-23-17-28-22-9-6-19(16-21(22)24(23)32(26(30)34)14-15-35-2)18-4-7-20(8-5-18)29-25(33)27-10-13-31-11-3-12-31/h4-9,16-17H,3,10-15H2,1-2H3,(H2,27,29,33).
What are the key properties of 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea has a molecular weight of 474.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is sourced from PubChem (CID 163286352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).