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

C22H31N5O3 — CID 44561096

IUPAC1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CN(C(=O)CN)C2(C)C)c2ncccc2c1
InChIInChI=1S/C22H31N5O3/c1-15(25-18-12-17(30-4)11-16-8-5-9-24-21(16)18)7-6-10-26-20(29)14-27(19(28)13-23)22(26,2)3/h5,8-9,11-12,15,25H,6-7,10,13-14,23H2,1-4H3
InChIKeyAOONPRNLKHTSCP-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.19
Rot. Bonds8

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

1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 44561096) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
PubChem CID44561096
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CN(C(=O)CN)C2(C)C)c2ncccc2c1
InChIInChI=1S/C22H31N5O3/c1-15(25-18-12-17(30-4)11-16-8-5-9-24-21(16)18)7-6-10-26-20(29)14-27(19(28)13-23)22(26,2)3/h5,8-9,11-12,15,25H,6-7,10,13-14,23H2,1-4H3
InChIKeyAOONPRNLKHTSCP-UHFFFAOYSA-N
XLogP2.19
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (CID 44561096) is 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)CN(C(=O)CN)C2(C)C)c2ncccc2c1.
What is the InChIKey of 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is AOONPRNLKHTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15(25-18-12-17(30-4)11-16-8-5-9-24-21(16)18)7-6-10-26-20(29)14-27(19(28)13-23)22(26,2)3/h5,8-9,11-12,15,25H,6-7,10,13-14,23H2,1-4H3.
What are the key properties of 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 413.52 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 44561096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).