1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone

C21H15N3O2 — CID 57345601

IUPAC1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESCOc1ccc2c(c1)[nH]c1c(C(=O)c3c[nH]c4ccccc34)nccc12
InChIInChI=1S/C21H15N3O2/c1-26-12-6-7-14-15-8-9-22-20(19(15)24-18(14)10-12)21(25)16-11-23-17-5-3-2-4-13(16)17/h2-11,23-24H,1H3
InChIKeyPGGWEUVCQQRYQR-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.44
Rot. Bonds3

About 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone

1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 57345601) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID57345601
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESCOc1ccc2c(c1)[nH]c1c(C(=O)c3c[nH]c4ccccc34)nccc12
InChIInChI=1S/C21H15N3O2/c1-26-12-6-7-14-15-8-9-22-20(19(15)24-18(14)10-12)21(25)16-11-23-17-5-3-2-4-13(16)17/h2-11,23-24H,1H3
InChIKeyPGGWEUVCQQRYQR-UHFFFAOYSA-N
XLogP4.44
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone (CID 57345601) is 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone is COc1ccc2c(c1)[nH]c1c(C(=O)c3c[nH]c4ccccc34)nccc12.
What is the InChIKey of 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is PGGWEUVCQQRYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-26-12-6-7-14-15-8-9-22-20(19(15)24-18(14)10-12)21(25)16-11-23-17-5-3-2-4-13(16)17/h2-11,23-24H,1H3.
What are the key properties of 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone?
1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 341.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 57345601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).