5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid

C16H15NO4 — CID 104607589

IUPAC5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
SMILESCC1Cc2ccccc2N(C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C16H15NO4/c1-10-6-11-4-2-3-5-13(11)17(8-10)15(18)14-7-12(9-21-14)16(19)20/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyMLHNOKKCHOMDTQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.82
Rot. Bonds2

About 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid

5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid (PubChem CID 104607589) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
PubChem CID104607589
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
SMILESCC1Cc2ccccc2N(C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C16H15NO4/c1-10-6-11-4-2-3-5-13(11)17(8-10)15(18)14-7-12(9-21-14)16(19)20/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyMLHNOKKCHOMDTQ-UHFFFAOYSA-N
XLogP2.82
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110602501
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
5-(3,5-dimethylpiperidine-1-carbonyl)furan-3-carboxylic acid
CID 104607104
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120550364
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
CID 104607120
(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373099
(2-amino-5-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107075293
[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
CID 95335952

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid (CID 104607589) is 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid is CC1Cc2ccccc2N(C(=O)c2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is MLHNOKKCHOMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-6-11-4-2-3-5-13(11)17(8-10)15(18)14-7-12(9-21-14)16(19)20/h2-5,7,9-10H,6,8H2,1H3,(H,19,20).
What are the key properties of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid?
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).