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

C27H32N6O3 — CID 163286331

IUPAC1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cc1
InChIInChI=1S/C27H32N6O3/c1-31(2)13-12-28-26(34)30-20-7-4-18(5-8-20)19-6-9-23-22(16-19)25-24(17-29-23)32(3)27(35)33(25)21-10-14-36-15-11-21/h4-9,16-17,21H,10-15H2,1-3H3,(H2,28,30,34)
InChIKeyDZWDGMQRJIZSAF-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.59
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (PubChem CID 163286331) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
PubChem CID163286331
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cc1
InChIInChI=1S/C27H32N6O3/c1-31(2)13-12-28-26(34)30-20-7-4-18(5-8-20)19-6-9-23-22(16-19)25-24(17-29-23)32(3)27(35)33(25)21-10-14-36-15-11-21/h4-9,16-17,21H,10-15H2,1-3H3,(H2,28,30,34)
InChIKeyDZWDGMQRJIZSAF-UHFFFAOYSA-N
XLogP3.59
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Dactolisib
CID 11977753
7-Methyl-2-[(7-methylquinolin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 146275562
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-(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
1-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea (CID 163286331) is 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
The InChIKey is DZWDGMQRJIZSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-31(2)13-12-28-26(34)30-20-7-4-18(5-8-20)19-6-9-23-22(16-19)25-24(17-29-23)32(3)27(35)33(25)21-10-14-36-15-11-21/h4-9,16-17,21H,10-15H2,1-3H3,(H2,28,30,34).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea?
1-[2-(dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea has a molecular weight of 488.59 g/mol, XLogP of 3.59, 6 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-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea is sourced from PubChem (CID 163286331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).