6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H17NO2 — CID 61087528

IUPAC6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC1C(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO2/c1-8-6-11(8)14(17)10-2-4-12-9(7-10)3-5-13(16)15-12/h2,4,7-8,11,14,17H,3,5-6H2,1H3,(H,15,16)
InChIKeyBPFQJNMIGLOWRW-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.26
Rot. Bonds2

About 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61087528) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61087528
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CC1C(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO2/c1-8-6-11(8)14(17)10-2-4-12-9(7-10)3-5-13(16)15-12/h2,4,7-8,11,14,17H,3,5-6H2,1H3,(H,15,16)
InChIKeyBPFQJNMIGLOWRW-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
7-[hydroxy-(5-methyloxolan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 81330193
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61087528) is 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one is CC1CC1C(O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BPFQJNMIGLOWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-6-11(8)14(17)10-2-4-12-9(7-10)3-5-13(16)15-12/h2,4,7-8,11,14,17H,3,5-6H2,1H3,(H,15,16).
What are the key properties of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61087528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).