2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid

C19H19N3O4 — CID 657507

IUPAC2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid
SMILESCN(C)c1nc2ccccc2c(N)c1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H17N3.C2H2O4/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17;3-1(4)2(5)6/h3-11H,1-2H3,(H2,18,19);(H,3,4)(H,5,6)
InChIKeyLGAHWCUGMKYXKA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.71
Rot. Bonds2

About 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid

2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid (PubChem CID 657507) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid
PubChem CID657507
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid
SMILESCN(C)c1nc2ccccc2c(N)c1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H17N3.C2H2O4/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17;3-1(4)2(5)6/h3-11H,1-2H3,(H2,18,19);(H,3,4)(H,5,6)
InChIKeyLGAHWCUGMKYXKA-UHFFFAOYSA-N
XLogP2.71
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.71
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-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
oxalic acid;N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-piperidin-1-ylacetamide
CID 16195178
6-Methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-ylamine
CID 648748
CID 653126
CID 653126
N2,N2,3-trimethylquinoline-2,4-diamine oxalate
CID 657626
N~1~-[2-(dimethylamino)quinolin-4-yl]-N~2~-(1,1,3,3-tetramethylbutyl)glycinamide
CID 2831808
N-(1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-pyrrolidin-1-yl-acetamide
CID 9549511
Oxalic acid;4-(4-phenylquinolin-2-yl)morpholine
CID 9551976
2-(Azepan-1-yl)-4-methylquinoline;oxalic acid
CID 11957129
Oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol
CID 15944762
2-tert-Butylamino-N-(2-dimethylamino-quinolin-4-yl)-acetamide
CID 16682706
2-Diethylamino-N-(2-dimethylamino-quinolin-4-yl)-acetamide
CID 16682707

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid?
The IUPAC name of 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid (CID 657507) is 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid.
What is the SMILES notation for 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid?
The canonical SMILES for 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid is CN(C)c1nc2ccccc2c(N)c1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid?
The InChIKey is LGAHWCUGMKYXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.C2H2O4/c1-20(2)17-15(12-8-4-3-5-9-12)16(18)13-10-6-7-11-14(13)19-17;3-1(4)2(5)6/h3-11H,1-2H3,(H2,18,19);(H,3,4)(H,5,6).
What are the key properties of 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid?
2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid has a molecular weight of 353.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-phenylquinoline-2,4-diamine;oxalic acid is sourced from PubChem (CID 657507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).