oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine

C14H17N3O4 — CID 657626

IUPACoxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine
SMILESCc1c(N(C)C)nc2ccccc2c1N.O=C(O)C(=O)O
InChIInChI=1S/C12H15N3.C2H2O4/c1-8-11(13)9-6-4-5-7-10(9)14-12(8)15(2)3;3-1(4)2(5)6/h4-7H,1-3H3,(H2,13,14);(H,3,4)(H,5,6)
InChIKeySIDFCDCZNLXHSL-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.35
Rot. Bonds1

About oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine

oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine (PubChem CID 657626) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine.

Molecular Properties

Compound Nameoxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine
PubChem CID657626
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameoxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine
SMILESCc1c(N(C)C)nc2ccccc2c1N.O=C(O)C(=O)O
InChIInChI=1S/C12H15N3.C2H2O4/c1-8-11(13)9-6-4-5-7-10(9)14-12(8)15(2)3;3-1(4)2(5)6/h4-7H,1-3H3,(H2,13,14);(H,3,4)(H,5,6)
InChIKeySIDFCDCZNLXHSL-UHFFFAOYSA-N
XLogP1.35
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.35
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
(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
CID 16195178
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-dimethyl-3-phenylquinoline-2,4-diamine oxalate
CID 657507
N-[2-(dimethylamino)quinolin-4-yl]hexanamide
CID 2831764
N~1~-[2-(dimethylamino)quinolin-4-yl]-N~2~-(1,1,3,3-tetramethylbutyl)glycinamide
CID 2831808
N-(2-Butyl-3-propyl-quinolin-4-yl)-2-diethylamino-acetamide
CID 2835370
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-(1-Azepanyl)-4-methylquinoline
CID 11957129

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine?
The IUPAC name of oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine (CID 657626) is oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine.
What is the SMILES notation for oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine?
The canonical SMILES for oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine is Cc1c(N(C)C)nc2ccccc2c1N.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine?
The InChIKey is SIDFCDCZNLXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C2H2O4/c1-8-11(13)9-6-4-5-7-10(9)14-12(8)15(2)3;3-1(4)2(5)6/h4-7H,1-3H3,(H2,13,14);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine?
oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine has a molecular weight of 291.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-N,2-N,3-trimethylquinoline-2,4-diamine is sourced from PubChem (CID 657626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).