5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid

C16H15NO4 — CID 62273109

IUPAC5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-12(8-14(21-10)16(19)20)9-17-13-5-3-2-4-11(13)6-7-15(17)18/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyLHWOMIQJQGSDRD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.77
Rot. Bonds3

About 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid

5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62273109) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62273109
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-12(8-14(21-10)16(19)20)9-17-13-5-3-2-4-11(13)6-7-15(17)18/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyLHWOMIQJQGSDRD-UHFFFAOYSA-N
XLogP2.77
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273459
5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
CID 62273798
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 43473224
5-methyl-4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 79936676
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 65326077
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548674
1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 10248285
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid (CID 62273109) is 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1C(=O)CCc2ccccc21.
What is the InChIKey of 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is LHWOMIQJQGSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-12(8-14(21-10)16(19)20)9-17-13-5-3-2-4-11(13)6-7-15(17)18/h2-5,8H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid?
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62273109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).