5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid

C17H19NO3 — CID 62273459

IUPAC5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1c2ccccc2CCC1C
InChIInChI=1S/C17H19NO3/c1-11-7-8-13-5-3-4-6-15(13)18(11)10-14-9-16(17(19)20)21-12(14)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyYDDXOHURLIQDBM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.63
Rot. Bonds3

About 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid

5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62273459) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62273459
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1c2ccccc2CCC1C
InChIInChI=1S/C17H19NO3/c1-11-7-8-13-5-3-4-6-15(13)18(11)10-14-9-16(17(19)20)21-12(14)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyYDDXOHURLIQDBM-UHFFFAOYSA-N
XLogP3.63
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 43106179
3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 43621049
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273109
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
3-fluoro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769628
3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405914
4-chloro-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82974304
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 43199534
[3-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-yl]methanamine
CID 62425100

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (CID 62273459) is 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1c2ccccc2CCC1C.
What is the InChIKey of 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is YDDXOHURLIQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-7-8-13-5-3-4-6-15(13)18(11)10-14-9-16(17(19)20)21-12(14)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.63, 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-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).