1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid

C20H19N3O4 — CID 653126

IUPAC1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1cccc(N2CCc3c2nc2ccccc2c3N)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H17N3.C2H2O4/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3,(H2,19,20);(H,3,4)(H,5,6)
InChIKeyYSDUPDLKCLZQNR-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.98
Rot. Bonds1

About 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid

1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (PubChem CID 653126) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
PubChem CID653126
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid
SMILESCc1cccc(N2CCc3c2nc2ccccc2c3N)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H17N3.C2H2O4/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3,(H2,19,20);(H,3,4)(H,5,6)
InChIKeyYSDUPDLKCLZQNR-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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Related Compounds

1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
CID 3081211
ST4118890
CID 657773
7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 1263646
1-Cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
CID 657720
1-m-Tolyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-ylamine
CID 2838127
oxalic acid;N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-piperidin-1-ylacetamide
CID 16195178
1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-ylamine
CID 711989
1-(2-Methylphenyl)-4-amino-6-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 15749822
6-Methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-ylamine
CID 648748
N-(1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-yl-acetamide
CID 650914
N2,N2-dimethyl-3-phenylquinoline-2,4-diamine oxalate
CID 657507
N2,N2,3-trimethylquinoline-2,4-diamine oxalate
CID 657626

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The IUPAC name of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid (CID 653126) is 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid.
What is the SMILES notation for 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The canonical SMILES for 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
The InChIKey is YSDUPDLKCLZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C2H2O4/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;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 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid?
1-(3-methylphenyl)-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 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;oxalic acid is sourced from PubChem (CID 653126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).