2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid

C14H13NO3 — CID 102536835

IUPAC2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
SMILESC=CCOc1cc(C)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H13NO3/c1-3-6-18-13-7-9(2)15-12-5-4-10(14(16)17)8-11(12)13/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyJRLFEFTVYZSPOZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid

2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid (PubChem CID 102536835) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
PubChem CID102536835
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
SMILESC=CCOc1cc(C)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C14H13NO3/c1-3-6-18-13-7-9(2)15-12-5-4-10(14(16)17)8-11(12)13/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyJRLFEFTVYZSPOZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807
3-[(E)-methoxyiminomethyl]-4,5-bis(prop-2-enoxy)benzoic acid
CID 19425353
4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline
CID 838422
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
4-methyl-3-prop-2-enoxycarbonyloxybenzoic acid
CID 174180016
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid?
The IUPAC name of 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid (CID 102536835) is 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid is C=CCOc1cc(C)nc2ccc(C(=O)O)cc12.
What is the InChIKey of 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid?
The InChIKey is JRLFEFTVYZSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-3-6-18-13-7-9(2)15-12-5-4-10(14(16)17)8-11(12)13/h3-5,7-8H,1,6H2,2H3,(H,16,17).
What are the key properties of 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid?
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid is sourced from PubChem (CID 102536835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).