4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one

C16H20N2O2 — CID 81243521

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2(CO)CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-14-7-3-2-6-12(14)13(10-15(18)20)17-16(11-19)8-4-5-9-16/h2-3,6-7,10,17,19H,4-5,8-9,11H2,1H3
InChIKeyZXSMSJARQLDIAE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds3

About 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one

4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one (PubChem CID 81243521) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one
PubChem CID81243521
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2(CO)CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-14-7-3-2-6-12(14)13(10-15(18)20)17-16(11-19)8-4-5-9-16/h2-3,6-7,10,17,19H,4-5,8-9,11H2,1H3
InChIKeyZXSMSJARQLDIAE-UHFFFAOYSA-N
XLogP2.26
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one (CID 81243521) is 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one is Cn1c(=O)cc(NC2(CO)CCCC2)c2ccccc21.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one?
The InChIKey is ZXSMSJARQLDIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-14-7-3-2-6-12(14)13(10-15(18)20)17-16(11-19)8-4-5-9-16/h2-3,6-7,10,17,19H,4-5,8-9,11H2,1H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one?
4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylquinolin-2-one is sourced from PubChem (CID 81243521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).