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

C26H30N6O3 — CID 163286325

IUPAC1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(C)C5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-11-10-20(16-30)29-25(33)28-19-7-4-17(5-8-19)18-6-9-22-21(14-18)24-23(15-27-22)31(2)26(34)32(24)12-13-35-3/h4-9,14-15,20H,10-13,16H2,1-3H3,(H2,28,29,33)
InChIKeyYQDPPAUMVJUDPW-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.03
Rot. Bonds6

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

1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea (PubChem CID 163286325) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
PubChem CID163286325
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(C)C5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-11-10-20(16-30)29-25(33)28-19-7-4-17(5-8-19)18-6-9-22-21(14-18)24-23(15-27-22)31(2)26(34)32(24)12-13-35-3/h4-9,14-15,20H,10-13,16H2,1-3H3,(H2,28,29,33)
InChIKeyYQDPPAUMVJUDPW-UHFFFAOYSA-N
XLogP3.03
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-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-methylpyrrolidin-3-yl)urea (CID 163286325) is 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-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-methylpyrrolidin-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-methylpyrrolidin-3-yl)urea is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCN(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-methylpyrrolidin-3-yl)urea?
The InChIKey is YQDPPAUMVJUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-30-11-10-20(16-30)29-25(33)28-19-7-4-17(5-8-19)18-6-9-22-21(14-18)24-23(15-27-22)31(2)26(34)32(24)12-13-35-3/h4-9,14-15,20H,10-13,16H2,1-3H3,(H2,28,29,33).
What are the key properties of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea?
1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 474.57 g/mol, XLogP of 3.03, 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-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 163286325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).