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

C25H28N6O3 — CID 163286312

IUPAC1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CN(C)C5)cc4)cc3c21
InChIInChI=1S/C25H28N6O3/c1-29-14-19(15-29)28-24(32)27-18-7-4-16(5-8-18)17-6-9-21-20(12-17)23-22(13-26-21)30(2)25(33)31(23)10-11-34-3/h4-9,12-13,19H,10-11,14-15H2,1-3H3,(H2,27,28,32)
InChIKeyGLDOIQOWWCUGGF-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.64
Rot. Bonds6

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

1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea (PubChem CID 163286312) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
PubChem CID163286312
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CN(C)C5)cc4)cc3c21
InChIInChI=1S/C25H28N6O3/c1-29-14-19(15-29)28-24(32)27-18-7-4-16(5-8-18)17-6-9-21-20(12-17)23-22(13-26-21)30(2)25(33)31(23)10-11-34-3/h4-9,12-13,19H,10-11,14-15H2,1-3H3,(H2,27,28,32)
InChIKeyGLDOIQOWWCUGGF-UHFFFAOYSA-N
XLogP2.64
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea?
The IUPAC name of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea (CID 163286312) is 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea.
What is the SMILES notation for 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea?
The canonical SMILES for 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CN(C)C5)cc4)cc3c21.
What is the InChIKey of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea?
The InChIKey is GLDOIQOWWCUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-29-14-19(15-29)28-24(32)27-18-7-4-16(5-8-18)17-6-9-21-20(12-17)23-22(13-26-21)30(2)25(33)31(23)10-11-34-3/h4-9,12-13,19H,10-11,14-15H2,1-3H3,(H2,27,28,32).
What are the key properties of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea?
1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea has a molecular weight of 460.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea is sourced from PubChem (CID 163286312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).