3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid

C18H24N2O3 — CID 7137933

IUPAC3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
SMILESCCCN(CCC)Cc1c(C)[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C18H24N2O3/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18(22)23)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyMHCXQQQAPLCHQA-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.16
Rot. Bonds7

About 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid

3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 7137933) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID7137933
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid
SMILESCCCN(CCC)Cc1c(C)[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C18H24N2O3/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18(22)23)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyMHCXQQQAPLCHQA-UHFFFAOYSA-N
XLogP3.16
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid (CID 7137933) is 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid is CCCN(CCC)Cc1c(C)[nH]c2ccc(C(=O)O)cc2c1=O.
What is the InChIKey of 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is MHCXQQQAPLCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18(22)23)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid?
3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 7137933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).