(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one

C21H30N4O2 — CID 45485830

IUPAC(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)[C@@H](C)NC2(C)C)c2ncccc2c1
InChIInChI=1S/C21H30N4O2/c1-14(8-7-11-25-20(26)15(2)24-21(25,3)4)23-18-13-17(27-5)12-16-9-6-10-22-19(16)18/h6,9-10,12-15,23-24H,7-8,11H2,1-5H3/t14?,15-/m1/s1
InChIKeyKJTHKMJERXZIQY-YSSOQSIOSA-N
MW370.50 g/mol
LogP3.38
Rot. Bonds7

About (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one

(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one (PubChem CID 45485830) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one
PubChem CID45485830
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)[C@@H](C)NC2(C)C)c2ncccc2c1
InChIInChI=1S/C21H30N4O2/c1-14(8-7-11-25-20(26)15(2)24-21(25,3)4)23-18-13-17(27-5)12-16-9-6-10-22-19(16)18/h6,9-10,12-15,23-24H,7-8,11H2,1-5H3/t14?,15-/m1/s1
InChIKeyKJTHKMJERXZIQY-YSSOQSIOSA-N
XLogP3.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one with MolForge

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Related Compounds

(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
CID 45268540
1-acetyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
CID 45485839
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one
CID 56946864
1-(2-aminoacetyl)-4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,4-diazaspiro[4.5]decan-3-one
CID 102521840
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
(2S)-2-amino-1-[3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethyl-4-oxoimidazolidin-1-yl]-3-phenylpropane-1,3-dione
CID 44561064
1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
CID 44561065
N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
CID 97301861
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
2-[4-[(6-methoxyquinolin-8-yl)amino]hexyl]isoindole-1,3-dione
CID 45028330

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one?
The IUPAC name of (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one (CID 45485830) is (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one.
What is the SMILES notation for (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one?
The canonical SMILES for (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)[C@@H](C)NC2(C)C)c2ncccc2c1.
What is the InChIKey of (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one?
The InChIKey is KJTHKMJERXZIQY-YSSOQSIOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(8-7-11-25-20(26)15(2)24-21(25,3)4)23-18-13-17(27-5)12-16-9-6-10-22-19(16)18/h6,9-10,12-15,23-24H,7-8,11H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one?
(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one has a molecular weight of 370.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one is sourced from PubChem (CID 45485830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).