1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid

C17H23NO7 — CID 70361387

IUPAC1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC1CCc2ccccc2N1C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C11H15N.C6H8O7/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9H,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyDJFGQRHYVDFABO-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.21
Rot. Bonds5

About 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid

1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 70361387) has the molecular formula C17H23NO7 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID70361387
Molecular FormulaC17H23NO7
Molecular Weight353.37 g/mol
Exact Mass353.15
IUPAC Name1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC1CCc2ccccc2N1C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C11H15N.C6H8O7/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9H,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyDJFGQRHYVDFABO-UHFFFAOYSA-N
XLogP1.21
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 70361387) is 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid is CC1CCc2ccccc2N1C.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is DJFGQRHYVDFABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C6H8O7/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9H,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid?
1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4-dihydro-2H-quinoline;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 70361387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).