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

C25H30N6O3 — CID 163286306

IUPAC1-[2-(dimethylamino)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)NCCN(C)C)cc4)cc3c21
InChIInChI=1S/C25H30N6O3/c1-29(2)12-11-26-24(32)28-19-8-5-17(6-9-19)18-7-10-21-20(15-18)23-22(16-27-21)30(3)25(33)31(23)13-14-34-4/h5-10,15-16H,11-14H2,1-4H3,(H2,26,28,32)
InChIKeyLVPRPVNZFJRRNR-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.88
Rot. Bonds8

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

1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (PubChem CID 163286306) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
PubChem CID163286306
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name1-[2-(dimethylamino)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)NCCN(C)C)cc4)cc3c21
InChIInChI=1S/C25H30N6O3/c1-29(2)12-11-26-24(32)28-19-8-5-17(6-9-19)18-7-10-21-20(15-18)23-22(16-27-21)30(3)25(33)31(23)13-14-34-4/h5-10,15-16H,11-14H2,1-4H3,(H2,26,28,32)
InChIKeyLVPRPVNZFJRRNR-UHFFFAOYSA-N
XLogP2.88
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (CID 163286306) is 1-[2-(dimethylamino)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-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)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)NCCN(C)C)cc4)cc3c21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The InChIKey is LVPRPVNZFJRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-29(2)12-11-26-24(32)28-19-8-5-17(6-9-19)18-7-10-21-20(15-18)23-22(16-27-21)30(3)25(33)31(23)13-14-34-4/h5-10,15-16H,11-14H2,1-4H3,(H2,26,28,32).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea has a molecular weight of 462.55 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is sourced from PubChem (CID 163286306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).