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

C25H28F2N6O3 — CID 163286347

IUPAC1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4F)cc3c21
InChIInChI=1S/C25H28F2N6O3/c1-31(2)10-9-28-24(34)30-19-8-6-16(21(26)22(19)27)15-5-7-18-17(13-15)23-20(14-29-18)32(3)25(35)33(23)11-12-36-4/h5-8,13-14H,9-12H2,1-4H3,(H2,28,30,34)
InChIKeyCQVCWJOKVYZCSB-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.16
Rot. Bonds8

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

1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 163286347) has the molecular formula C25H28F2N6O3 and a molecular weight of 498.53 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID163286347
Molecular FormulaC25H28F2N6O3
Molecular Weight498.53 g/mol
Exact Mass498.22
IUPAC Name1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4F)cc3c21
InChIInChI=1S/C25H28F2N6O3/c1-31(2)10-9-28-24(34)30-19-8-6-16(21(26)22(19)27)15-5-7-18-17(13-15)23-20(14-29-18)32(3)25(35)33(23)11-12-36-4/h5-8,13-14H,9-12H2,1-4H3,(H2,28,30,34)
InChIKeyCQVCWJOKVYZCSB-UHFFFAOYSA-N
XLogP3.16
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea (CID 163286347) is 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)NCCN(C)C)c(F)c4F)cc3c21.
What is the InChIKey of 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is CQVCWJOKVYZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O3/c1-31(2)10-9-28-24(34)30-19-8-6-16(21(26)22(19)27)15-5-7-18-17(13-15)23-20(14-29-18)32(3)25(35)33(23)11-12-36-4/h5-8,13-14H,9-12H2,1-4H3,(H2,28,30,34).
What are the key properties of 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 498.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 163286347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).