4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

C17H26N2O2 — CID 103784381

IUPAC4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC(O)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O2/c1-17(2,3)10-12(20)11-18-14-9-16(21)19(4)15-8-6-5-7-13(14)15/h5-8,12,14,18,20H,9-11H2,1-4H3
InChIKeyBZRARSVOSUZEMR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds4

About 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 103784381) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID103784381
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC(O)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O2/c1-17(2,3)10-12(20)11-18-14-9-16(21)19(4)15-8-6-5-7-13(14)15/h5-8,12,14,18,20H,9-11H2,1-4H3
InChIKeyBZRARSVOSUZEMR-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 103784381) is 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCC(O)CC(C)(C)C)c2ccccc21.
What is the InChIKey of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BZRARSVOSUZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)10-12(20)11-18-14-9-16(21)19(4)15-8-6-5-7-13(14)15/h5-8,12,14,18,20H,9-11H2,1-4H3.
What are the key properties of 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 103784381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).