5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one

C24H24N4O3 — CID 20892013

IUPAC5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
SMILESCc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N3CCOCC3)c(=O)c21
InChIInChI=1S/C24H24N4O3/c1-17-6-2-3-7-18(17)15-27-21-9-5-4-8-19(21)20-14-25-28(24(30)23(20)27)16-22(29)26-10-12-31-13-11-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyOLVGXWJYQQNRKW-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.57
Rot. Bonds4

About 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one

5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one (PubChem CID 20892013) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
PubChem CID20892013
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
SMILESCc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N3CCOCC3)c(=O)c21
InChIInChI=1S/C24H24N4O3/c1-17-6-2-3-7-18(17)15-27-21-9-5-4-8-19(21)20-14-25-28(24(30)23(20)27)16-22(29)26-10-12-31-13-11-26/h2-9,14H,10-13,15-16H2,1H3
InChIKeyOLVGXWJYQQNRKW-UHFFFAOYSA-N
XLogP2.57
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one
CID 20892251
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methyl]pyridazino[4,5-b]indol-4-one
CID 20892180
6-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 23601497
2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20892039
N-[(4-methoxyphenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892021
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-4-one
CID 20892082
N-(2-morpholin-4-ylethyl)-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892104
2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 35706085
3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912808
N-cyclopentyl-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892048
5-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one
CID 20891834
5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carboxylic acid
CID 175313059

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one (CID 20892013) is 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one is Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N3CCOCC3)c(=O)c21.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is OLVGXWJYQQNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-6-2-3-7-18(17)15-27-21-9-5-4-8-19(21)20-14-25-28(24(30)23(20)27)16-22(29)26-10-12-31-13-11-26/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one?
5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 416.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 20892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).