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

C26H30N6O3 — CID 163286373

IUPAC1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCNCC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-31-23-16-28-22-8-5-18(15-21(22)24(23)32(26(31)34)13-14-35-2)17-3-6-19(7-4-17)29-25(33)30-20-9-11-27-12-10-20/h3-8,15-16,20,27H,9-14H2,1-2H3,(H2,29,30,33)
InChIKeyCOCMFVGIJCRLST-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.08
Rot. Bonds6

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

1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea (PubChem CID 163286373) 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-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
PubChem CID163286373
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-piperidin-4-ylurea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCNCC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-31-23-16-28-22-8-5-18(15-21(22)24(23)32(26(31)34)13-14-35-2)17-3-6-19(7-4-17)29-25(33)30-20-9-11-27-12-10-20/h3-8,15-16,20,27H,9-14H2,1-2H3,(H2,29,30,33)
InChIKeyCOCMFVGIJCRLST-UHFFFAOYSA-N
XLogP3.08
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea 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-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea (CID 163286373) is 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NC5CCNCC5)cc4)cc3c21.
What is the InChIKey of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea?
The InChIKey is COCMFVGIJCRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-31-23-16-28-22-8-5-18(15-21(22)24(23)32(26(31)34)13-14-35-2)17-3-6-19(7-4-17)29-25(33)30-20-9-11-27-12-10-20/h3-8,15-16,20,27H,9-14H2,1-2H3,(H2,29,30,33).
What are the key properties of 1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea?
1-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea has a molecular weight of 474.57 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 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-piperidin-4-ylurea is sourced from PubChem (CID 163286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).