(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine

C24H25N3O5 — CID 6439909

IUPAC(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
SMILESCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H21N3O.C4H4O4/c1-5-21-20-18-12(3)17-15-10-13(24-4)6-7-16(15)23-19(17)11(2)14(18)8-9-22-20;5-3(6)1-2-4(7)8/h6-10,23H,5H2,1-4H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyNQCQYNRFZLZJMK-BTJKTKAUSA-N
MW435.48 g/mol
LogP4.64
Rot. Bonds5

About (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine

(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine (PubChem CID 6439909) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
PubChem CID6439909
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
SMILESCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H21N3O.C4H4O4/c1-5-21-20-18-12(3)17-15-10-13(24-4)6-7-16(15)23-19(17)11(2)14(18)8-9-22-20;5-3(6)1-2-4(7)8/h6-10,23H,5H2,1-4H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyNQCQYNRFZLZJMK-BTJKTKAUSA-N
XLogP4.64
TPSA124.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine?
The IUPAC name of (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine (CID 6439909) is (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine?
The canonical SMILES for (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine is CCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine?
The InChIKey is NQCQYNRFZLZJMK-BTJKTKAUSA-N. The full InChI is InChI=1S/C20H21N3O.C4H4O4/c1-5-21-20-18-12(3)17-15-10-13(24-4)6-7-16(15)23-19(17)11(2)14(18)8-9-22-20;5-3(6)1-2-4(7)8/h6-10,23H,5H2,1-4H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine?
(Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine has a molecular weight of 435.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine is sourced from PubChem (CID 6439909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).