6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one

C15H17NO2 — CID 116997581

IUPAC6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CC3(CO)CC3)ccc2[nH]c1=O
InChIInChI=1S/C15H17NO2/c1-10-6-12-7-11(8-15(9-17)4-5-15)2-3-13(12)16-14(10)18/h2-3,6-7,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyHFLSBGLFRWBOSD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.15
Rot. Bonds3

About 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one

6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one (PubChem CID 116997581) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
PubChem CID116997581
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CC3(CO)CC3)ccc2[nH]c1=O
InChIInChI=1S/C15H17NO2/c1-10-6-12-7-11(8-15(9-17)4-5-15)2-3-13(12)16-14(10)18/h2-3,6-7,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyHFLSBGLFRWBOSD-UHFFFAOYSA-N
XLogP2.15
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
CID 116997516
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
CID 116997657
6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one
CID 116997530
N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390127
3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110390077
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
CID 110666063
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid
CID 116997669
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300545

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one (CID 116997581) is 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one is Cc1cc2cc(CC3(CO)CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one?
The InChIKey is HFLSBGLFRWBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-6-12-7-11(8-15(9-17)4-5-15)2-3-13(12)16-14(10)18/h2-3,6-7,17H,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one?
6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 116997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).