6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one

C18H24N2O3 — CID 155111203

IUPAC6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one
SMILESCc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O
InChIInChI=1S/C18H24N2O3/c1-13-11-14-12-15(19)6-7-16(14)20(18(13)21)8-4-10-23-17-5-2-3-9-22-17/h6-7,11-12,17H,2-5,8-10,19H2,1H3
InChIKeyHVOWBFPVGYILDC-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds5

About 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one

6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one (PubChem CID 155111203) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one.

Molecular Properties

Compound Name6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one
PubChem CID155111203
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one
SMILESCc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O
InChIInChI=1S/C18H24N2O3/c1-13-11-14-12-15(19)6-7-16(14)20(18(13)21)8-4-10-23-17-5-2-3-9-22-17/h6-7,11-12,17H,2-5,8-10,19H2,1H3
InChIKeyHVOWBFPVGYILDC-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137770
1,6-dimethyl-5-nitro-3-[3-(oxan-2-yloxy)propyl]pyrimidine-2,4-dione
CID 118863790
3,7-dimethyl-8-nitro-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
CID 10067525
5-bromo-1,3-dimethyl-7-[2-(oxan-2-yloxy)ethoxy]quinolin-2-one
CID 162753628
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
CID 21073385
3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione
CID 100761405
2-[7-(oxan-2-yloxy)heptyl]cyclohex-2-en-1-one
CID 57214716
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
8-bromo-7-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
CID 90402670
CID 71107276
CID 71107276
7-[(4-chlorophenyl)methyl]-3-methyl-8-methylsulfanyl-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
CID 90402718

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one?
The IUPAC name of 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one (CID 155111203) is 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one.
What is the SMILES notation for 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one?
The canonical SMILES for 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one is Cc1cc2cc(N)ccc2n(CCCOC2CCCCO2)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one?
The InChIKey is HVOWBFPVGYILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-11-14-12-15(19)6-7-16(14)20(18(13)21)8-4-10-23-17-5-2-3-9-22-17/h6-7,11-12,17H,2-5,8-10,19H2,1H3.
What are the key properties of 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one?
6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-[3-(oxan-2-yloxy)propyl]quinolin-2-one is sourced from PubChem (CID 155111203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).