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

C20H19N3O4 — CID 648748

IUPAC6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H17N3.C2H2O4/c1-12-7-8-16-15(11-12)17(19)14-9-10-21(18(14)20-16)13-5-3-2-4-6-13;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3,(H2,19,20);(H,3,4)(H,5,6)
InChIKeyKNPMUVPRFGXASX-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.98
Rot. Bonds1

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

6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (PubChem CID 648748) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.

Molecular Properties

Compound Name6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
PubChem CID648748
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H17N3.C2H2O4/c1-12-7-8-16-15(11-12)17(19)14-9-10-21(18(14)20-16)13-5-3-2-4-6-13;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3,(H2,19,20);(H,3,4)(H,5,6)
InChIKeyKNPMUVPRFGXASX-UHFFFAOYSA-N
XLogP2.98
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.98
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 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The IUPAC name of 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (CID 648748) is 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.
What is the SMILES notation for 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The canonical SMILES for 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is Cc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The InChIKey is KNPMUVPRFGXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C2H2O4/c1-12-7-8-16-15(11-12)17(19)14-9-10-21(18(14)20-16)13-5-3-2-4-6-13;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3,(H2,19,20);(H,3,4)(H,5,6).
What are the key properties of 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid has a molecular weight of 365.39 g/mol, XLogP of 2.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is sourced from PubChem (CID 648748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).