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

C27H34N4O2 — CID 45268540

IUPAC(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1
InChIInChI=1S/C27H34N4O2/c1-19(29-23-18-22(33-4)17-21-13-8-14-28-25(21)23)10-9-15-31-26(32)24(30-27(31,2)3)16-20-11-6-5-7-12-20/h5-8,11-14,17-19,24,29-30H,9-10,15-16H2,1-4H3/t19?,24-/m1/s1
InChIKeyMGVINWJWAYADAY-JKSFWZLDSA-N
MW446.60 g/mol
LogP4.60
Rot. Bonds9

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

(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (PubChem CID 45268540) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
PubChem CID45268540
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1
InChIInChI=1S/C27H34N4O2/c1-19(29-23-18-22(33-4)17-21-13-8-14-28-25(21)23)10-9-15-31-26(32)24(30-27(31,2)3)16-20-11-6-5-7-12-20/h5-8,11-14,17-19,24,29-30H,9-10,15-16H2,1-4H3/t19?,24-/m1/s1
InChIKeyMGVINWJWAYADAY-JKSFWZLDSA-N
XLogP4.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The IUPAC name of (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one (CID 45268540) is (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1.
What is the InChIKey of (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
The InChIKey is MGVINWJWAYADAY-JKSFWZLDSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19(29-23-18-22(33-4)17-21-13-8-14-28-25(21)23)10-9-15-31-26(32)24(30-27(31,2)3)16-20-11-6-5-7-12-20/h5-8,11-14,17-19,24,29-30H,9-10,15-16H2,1-4H3/t19?,24-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one?
(5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one has a molecular weight of 446.60 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 45268540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).