5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

C19H20N2O3 — CID 69466377

IUPAC5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCC(=O)N(c1ccccc1)c1cccc2c1CCC(C)N2C(=O)O
InChIInChI=1S/C19H20N2O3/c1-13-11-12-16-17(20(13)19(23)24)9-6-10-18(16)21(14(2)22)15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyKYDMRGSWKZFVQY-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.19
Rot. Bonds2

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

5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 69466377) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
PubChem CID69466377
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCC(=O)N(c1ccccc1)c1cccc2c1CCC(C)N2C(=O)O
InChIInChI=1S/C19H20N2O3/c1-13-11-12-16-17(20(13)19(23)24)9-6-10-18(16)21(14(2)22)15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyKYDMRGSWKZFVQY-UHFFFAOYSA-N
XLogP4.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The IUPAC name of 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 69466377) is 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The canonical SMILES for 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid is CC(=O)N(c1ccccc1)c1cccc2c1CCC(C)N2C(=O)O.
What is the InChIKey of 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The InChIKey is KYDMRGSWKZFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-11-12-16-17(20(13)19(23)24)9-6-10-18(16)21(14(2)22)15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid?
5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 69466377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).