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

C16H17NO3 — CID 43106179

IUPAC5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CCc2ccccc2N1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C16H17NO3/c1-11-6-7-12-4-2-3-5-14(12)17(11)10-13-8-9-15(20-13)16(18)19/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19)
InChIKeyNVNQHUSGVKYQFE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.32
Rot. Bonds3

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

5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 43106179) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID43106179
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CCc2ccccc2N1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C16H17NO3/c1-11-6-7-12-4-2-3-5-14(12)17(11)10-13-8-9-15(20-13)16(18)19/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19)
InChIKeyNVNQHUSGVKYQFE-UHFFFAOYSA-N
XLogP3.32
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid (CID 43106179) is 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is CC1CCc2ccccc2N1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is NVNQHUSGVKYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-7-12-4-2-3-5-14(12)17(11)10-13-8-9-15(20-13)16(18)19/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,19).
What are the key properties of 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid?
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43106179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).