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

C27H32N6O3 — CID 163286350

IUPAC3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N(C)C)C5)cc4)cc3c21
InChIInChI=1S/C27H32N6O3/c1-30(2)21-11-12-32(17-21)26(34)29-20-8-5-18(6-9-20)19-7-10-23-22(15-19)25-24(16-28-23)31(3)27(35)33(25)13-14-36-4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,29,34)
InChIKeyVYQWKYXLOXOPMA-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.37
Rot. Bonds6

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

3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 163286350) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID163286350
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N(C)C)C5)cc4)cc3c21
InChIInChI=1S/C27H32N6O3/c1-30(2)21-11-12-32(17-21)26(34)29-20-8-5-18(6-9-20)19-7-10-23-22(15-19)25-24(16-28-23)31(3)27(35)33(25)13-14-36-4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,29,34)
InChIKeyVYQWKYXLOXOPMA-UHFFFAOYSA-N
XLogP3.37
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-indol-3-yl)piperidin-1-yl)ethyl)imidazolidin-2-one
CID 9932698
1-(2-{4-[1-(4-Fluoro-phenyl)-5-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006457
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
CID 163286312
ATM Inhibitor-2
CID 163286323
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 163286325
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331
1-[2-(Azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286352
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 163286354
US20230348462, Example 52
CID 163286355

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide (CID 163286350) is 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N(C)C)C5)cc4)cc3c21.
What is the InChIKey of 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VYQWKYXLOXOPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-30(2)21-11-12-32(17-21)26(34)29-20-8-5-18(6-9-20)19-7-10-23-22(15-19)25-24(16-28-23)31(3)27(35)33(25)13-14-36-4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,29,34).
What are the key properties of 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide?
3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 163286350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).