N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide

C22H22N4O3 — CID 167043058

IUPACN-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC=O)cc4C)cc3c21
InChIInChI=1S/C22H22N4O3/c1-14-10-16(24-13-27)5-6-17(14)15-4-7-19-18(11-15)21-20(12-23-19)25(2)22(28)26(21)8-9-29-3/h4-7,10-13H,8-9H2,1-3H3,(H,24,27)
InChIKeyIWBJOYXAZBAUPE-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide

N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide (PubChem CID 167043058) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide
PubChem CID167043058
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC=O)cc4C)cc3c21
InChIInChI=1S/C22H22N4O3/c1-14-10-16(24-13-27)5-6-17(14)15-4-7-19-18(11-15)21-20(12-23-19)25(2)22(28)26(21)8-9-29-3/h4-7,10-13H,8-9H2,1-3H3,(H,24,27)
InChIKeyIWBJOYXAZBAUPE-UHFFFAOYSA-N
XLogP3.08
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Lisuride
CID 28864
Terguride
CID 443951
N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
1-Isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]methyl}urea
CID 10247042
N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea
CID 10248092
N-{[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl}-N'-isoquinolin-5-ylurea
CID 10385728
3-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
CID 11957615
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide?
The IUPAC name of N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide (CID 167043058) is N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide.
What is the SMILES notation for N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide?
The canonical SMILES for N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC=O)cc4C)cc3c21.
What is the InChIKey of N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide?
The InChIKey is IWBJOYXAZBAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-10-16(24-13-27)5-6-17(14)15-4-7-19-18(11-15)21-20(12-23-19)25(2)22(28)26(21)8-9-29-3/h4-7,10-13H,8-9H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide?
N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide has a molecular weight of 390.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide is sourced from PubChem (CID 167043058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).