2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid

C19H21N3O5 — CID 169406115

IUPAC2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCC(C)N1CCCc2cc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)ccc21
InChIInChI=1S/C19H21N3O5/c1-9(2)22-7-3-4-10-8-11(5-6-12(10)22)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,8-9H,3-4,7H2,1-2H3,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyIVHWHSNAZNJUNL-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406115) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406115
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid
SMILESCC(C)N1CCCc2cc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)ccc21
InChIInChI=1S/C19H21N3O5/c1-9(2)22-7-3-4-10-8-11(5-6-12(10)22)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,8-9H,3-4,7H2,1-2H3,(H,24,25)(H,26,27)(H3,20,21,23)
InChIKeyIVHWHSNAZNJUNL-UHFFFAOYSA-N
XLogP2.18
TPSA136.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid with MolForge

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Related Compounds

2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405339
2-amino-4-(3-bromo-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406467
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
2-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405231
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
2-amino-4-(4-iodo-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407868
ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
CID 169400109
2-amino-4-[4-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406962
6-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382795
2-amino-4-[3-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405898
[4-(2-amino-3,5-dicarboxy-6-oxo-1H-pyridin-4-yl)phenyl]-trifluoroboranuide
CID 169405264
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid (CID 169406115) is 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid is CC(C)N1CCCc2cc(-c3c(C(=O)O)c(N)[nH]c(=O)c3C(=O)O)ccc21.
What is the InChIKey of 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is IVHWHSNAZNJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-9(2)22-7-3-4-10-8-11(5-6-12(10)22)13-14(18(24)25)16(20)21-17(23)15(13)19(26)27/h5-6,8-9H,3-4,7H2,1-2H3,(H,24,25)(H,26,27)(H3,20,21,23).
What are the key properties of 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).