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

C20H28N4O2 — CID 11325755

IUPAC3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1
InChIInChI=1S/C20H28N4O2/c1-14(7-6-10-24-18(25)13-22-20(24,2)3)23-17-12-16(26-4)11-15-8-5-9-21-19(15)17/h5,8-9,11-12,14,22-23H,6-7,10,13H2,1-4H3
InChIKeyNSJWPTVJSCPBSB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.99
Rot. Bonds7

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

3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 11325755) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
PubChem CID11325755
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1
InChIInChI=1S/C20H28N4O2/c1-14(7-6-10-24-18(25)13-22-20(24,2)3)23-17-12-16(26-4)11-15-8-5-9-21-19(15)17/h5,8-9,11-12,14,22-23H,6-7,10,13H2,1-4H3
InChIKeyNSJWPTVJSCPBSB-UHFFFAOYSA-N
XLogP2.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (CID 11325755) is 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1.
What is the InChIKey of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is NSJWPTVJSCPBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(7-6-10-24-18(25)13-22-20(24,2)3)23-17-12-16(26-4)11-15-8-5-9-21-19(15)17/h5,8-9,11-12,14,22-23H,6-7,10,13H2,1-4H3.
What are the key properties of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 356.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 11325755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).