1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one

C22H30N4O3 — CID 45485839

IUPAC1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1
InChIInChI=1S/C22H30N4O3/c1-15(8-7-11-25-20(28)14-26(16(2)27)22(25,3)4)24-19-13-18(29-5)12-17-9-6-10-23-21(17)19/h6,9-10,12-13,15,24H,7-8,11,14H2,1-5H3
InChIKeyWQASVAWSPYVEOY-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.25
Rot. Bonds7

About 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one

1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 45485839) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
PubChem CID45485839
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1
InChIInChI=1S/C22H30N4O3/c1-15(8-7-11-25-20(28)14-26(16(2)27)22(25,3)4)24-19-13-18(29-5)12-17-9-6-10-23-21(17)19/h6,9-10,12-13,15,24H,7-8,11,14H2,1-5H3
InChIKeyWQASVAWSPYVEOY-UHFFFAOYSA-N
XLogP3.25
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (CID 45485839) is 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1.
What is the InChIKey of 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is WQASVAWSPYVEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15(8-7-11-25-20(28)14-26(16(2)27)22(25,3)4)24-19-13-18(29-5)12-17-9-6-10-23-21(17)19/h6,9-10,12-13,15,24H,7-8,11,14H2,1-5H3.
What are the key properties of 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 398.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 45485839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).