1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid

C15H17N3O4 — CID 24747591

IUPAC1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3C.O=C(O)C(=O)O
InChIInChI=1S/C13H15N3.C2H2O4/c1-8-3-4-11-10(7-8)12(14)9-5-6-16(2)13(9)15-11;3-1(4)2(5)6/h3-4,7H,5-6H2,1-2H3,(H2,14,15);(H,3,4)(H,5,6)
InChIKeyDIRZDMUFEWPNAD-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.27
Rot. Bonds

About 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid

1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (PubChem CID 24747591) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
PubChem CID24747591
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3C.O=C(O)C(=O)O
InChIInChI=1S/C13H15N3.C2H2O4/c1-8-3-4-11-10(7-8)12(14)9-5-6-16(2)13(9)15-11;3-1(4)2(5)6/h3-4,7H,5-6H2,1-2H3,(H2,14,15);(H,3,4)(H,5,6)
InChIKeyDIRZDMUFEWPNAD-UHFFFAOYSA-N
XLogP1.27
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The IUPAC name of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (CID 24747591) is 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The canonical SMILES for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is Cc1ccc2nc3c(c(N)c2c1)CCN3C.O=C(O)C(=O)O.
What is the InChIKey of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The InChIKey is DIRZDMUFEWPNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.C2H2O4/c1-8-3-4-11-10(7-8)12(14)9-5-6-16(2)13(9)15-11;3-1(4)2(5)6/h3-4,7H,5-6H2,1-2H3,(H2,14,15);(H,3,4)(H,5,6).
What are the key properties of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid has a molecular weight of 303.32 g/mol, XLogP of 1.27, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is sourced from PubChem (CID 24747591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).