ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid

C18H24N2O4 — CID 91367914

IUPACethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
SMILESCC.Cc1nc2ccccc2c(C(=O)NC(C)C)c1OCC(=O)O
InChIInChI=1S/C16H18N2O4.C2H6/c1-9(2)17-16(21)14-11-6-4-5-7-12(11)18-10(3)15(14)22-8-13(19)20;1-2/h4-7,9H,8H2,1-3H3,(H,17,21)(H,19,20);1-2H3
InChIKeyIZSOKYLUXVGABX-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.17
Rot. Bonds5

About ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid

ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid (PubChem CID 91367914) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid.

Molecular Properties

Compound Nameethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
PubChem CID91367914
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
SMILESCC.Cc1nc2ccccc2c(C(=O)NC(C)C)c1OCC(=O)O
InChIInChI=1S/C16H18N2O4.C2H6/c1-9(2)17-16(21)14-11-6-4-5-7-12(11)18-10(3)15(14)22-8-13(19)20;1-2/h4-7,9H,8H2,1-3H3,(H,17,21)(H,19,20);1-2H3
InChIKeyIZSOKYLUXVGABX-UHFFFAOYSA-N
XLogP3.17
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 75452820
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
CID 101112912
N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432534
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432532
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide
CID 56785610
N-ethyl-4-methylquinazoline-2-carboxamide
CID 14528198

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid?
The IUPAC name of ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid (CID 91367914) is ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid.
What is the SMILES notation for ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid?
The canonical SMILES for ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid is CC.Cc1nc2ccccc2c(C(=O)NC(C)C)c1OCC(=O)O.
What is the InChIKey of ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid?
The InChIKey is IZSOKYLUXVGABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.C2H6/c1-9(2)17-16(21)14-11-6-4-5-7-12(11)18-10(3)15(14)22-8-13(19)20;1-2/h4-7,9H,8H2,1-3H3,(H,17,21)(H,19,20);1-2H3.
What are the key properties of ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid?
ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid has a molecular weight of 332.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid is sourced from PubChem (CID 91367914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).