1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C22H15N3O4 — CID 56649562

IUPAC1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCOc1ccc2[nH]cc(C(=O)c3nc(C(=O)O)cc4c3[nH]c3ccccc34)c2c1
InChIInChI=1S/C22H15N3O4/c1-29-11-6-7-16-13(8-11)15(10-23-16)21(26)20-19-14(9-18(25-20)22(27)28)12-4-2-3-5-17(12)24-19/h2-10,23-24H,1H3,(H,27,28)
InChIKeyPFZNLSYZVUXWQY-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.14
Rot. Bonds4

About 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 56649562) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID56649562
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCOc1ccc2[nH]cc(C(=O)c3nc(C(=O)O)cc4c3[nH]c3ccccc34)c2c1
InChIInChI=1S/C22H15N3O4/c1-29-11-6-7-16-13(8-11)15(10-23-16)21(26)20-19-14(9-18(25-20)22(27)28)12-4-2-3-5-17(12)24-19/h2-10,23-24H,1H3,(H,27,28)
InChIKeyPFZNLSYZVUXWQY-UHFFFAOYSA-N
XLogP4.14
TPSA108.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 56649562) is 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is COc1ccc2[nH]cc(C(=O)c3nc(C(=O)O)cc4c3[nH]c3ccccc34)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is PFZNLSYZVUXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c1-29-11-6-7-16-13(8-11)15(10-23-16)21(26)20-19-14(9-18(25-20)22(27)28)12-4-2-3-5-17(12)24-19/h2-10,23-24H,1H3,(H,27,28).
What are the key properties of 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 56649562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).