(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine

C14H14N2O5 — CID 87801911

IUPAC(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(N)c2c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C10H10N2O.C4H4O4/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;5-3(6)1-2-4(7)8/h2-6H,1H3,(H2,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyPHDUNEUYESQWAC-WLHGVMLRSA-N
MW290.28 g/mol
LogP1.54
Rot. Bonds3

About (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine

(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine (PubChem CID 87801911) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
PubChem CID87801911
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(N)c2c1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C10H10N2O.C4H4O4/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;5-3(6)1-2-4(7)8/h2-6H,1H3,(H2,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyPHDUNEUYESQWAC-WLHGVMLRSA-N
XLogP1.54
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
CID 70287691
6-methoxyquinoline-4-sulfonic acid
CID 119093175
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine?
The IUPAC name of (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine (CID 87801911) is (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine.
What is the SMILES notation for (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine?
The canonical SMILES for (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine is COc1ccc2nccc(N)c2c1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine?
The InChIKey is PHDUNEUYESQWAC-WLHGVMLRSA-N. The full InChI is InChI=1S/C10H10N2O.C4H4O4/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10;5-3(6)1-2-4(7)8/h2-6H,1H3,(H2,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine?
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;6-methoxyquinolin-4-amine is sourced from PubChem (CID 87801911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).