1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid

C13H16N2O4 — CID 82624628

IUPAC1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid
SMILESCOc1ccc2c(c1)C(N)(C(=O)O)CCN2C(C)=O
InChIInChI=1S/C13H16N2O4/c1-8(16)15-6-5-13(14,12(17)18)10-7-9(19-2)3-4-11(10)15/h3-4,7H,5-6,14H2,1-2H3,(H,17,18)
InChIKeyBGUUQMQHTCZEMX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.69
Rot. Bonds2

About 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid

1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid (PubChem CID 82624628) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid
PubChem CID82624628
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid
SMILESCOc1ccc2c(c1)C(N)(C(=O)O)CCN2C(C)=O
InChIInChI=1S/C13H16N2O4/c1-8(16)15-6-5-13(14,12(17)18)10-7-9(19-2)3-4-11(10)15/h3-4,7H,5-6,14H2,1-2H3,(H,17,18)
InChIKeyBGUUQMQHTCZEMX-UHFFFAOYSA-N
XLogP0.69
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-amino-7-methoxy-3,4-dihydro-2H-1-benzazepine-5-carboxylic acid
CID 82626586
4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid
CID 82626109
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
4-ethyl-4-hydroxy-7-methoxy-2,3-dihydroquinoline-1-carboxylic acid
CID 18704922
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
CID 23991716
1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid
CID 91503826
3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
6-methoxy-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 79371968
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid (CID 82624628) is 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid is COc1ccc2c(c1)C(N)(C(=O)O)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid?
The InChIKey is BGUUQMQHTCZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)15-6-5-13(14,12(17)18)10-7-9(19-2)3-4-11(10)15/h3-4,7H,5-6,14H2,1-2H3,(H,17,18).
What are the key properties of 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid?
1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-amino-6-methoxy-2,3-dihydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82624628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).