1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea

C20H21N3O2 — CID 113097077

IUPAC1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1ccccc1)CC3
InChIInChI=1S/C20H21N3O2/c1-25-15-8-10-19-17(12-15)16-11-14(7-9-18(16)23-19)22-20(24)21-13-5-3-2-4-6-13/h2-6,8,10,12,14,23H,7,9,11H2,1H3,(H2,21,22,24)
InChIKeyLLHXJGQUYOCSSH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.86
Rot. Bonds3

About 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea

1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea (PubChem CID 113097077) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
PubChem CID113097077
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1ccccc1)CC3
InChIInChI=1S/C20H21N3O2/c1-25-15-8-10-19-17(12-15)16-11-14(7-9-18(16)23-19)22-20(24)21-13-5-3-2-4-6-13/h2-6,8,10,12,14,23H,7,9,11H2,1H3,(H2,21,22,24)
InChIKeyLLHXJGQUYOCSSH-UHFFFAOYSA-N
XLogP3.86
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea (CID 113097077) is 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1ccccc1)CC3.
What is the InChIKey of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea?
The InChIKey is LLHXJGQUYOCSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-15-8-10-19-17(12-15)16-11-14(7-9-18(16)23-19)22-20(24)21-13-5-3-2-4-6-13/h2-6,8,10,12,14,23H,7,9,11H2,1H3,(H2,21,22,24).
What are the key properties of 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea?
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea has a molecular weight of 335.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea is sourced from PubChem (CID 113097077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).