anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

C30H28N2O2 — CID 10003802

IUPACanthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCc1c(C(=O)c2cccc3cc4ccccc4cc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C30H28N2O2/c1-21-29(26-10-4-5-12-28(26)32(21)14-13-31-15-17-34-18-16-31)30(33)25-11-6-9-24-19-22-7-2-3-8-23(22)20-27(24)25/h2-12,19-20H,13-18H2,1H3
InChIKeyFKPPZBZDWCWDGC-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.82
Rot. Bonds5

About anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone

anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 10003802) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Nameanthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID10003802
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Nameanthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCc1c(C(=O)c2cccc3cc4ccccc4cc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C30H28N2O2/c1-21-29(26-10-4-5-12-28(26)32(21)14-13-31-15-17-34-18-16-31)30(33)25-11-6-9-24-19-22-7-2-3-8-23(22)20-27(24)25/h2-12,19-20H,13-18H2,1H3
InChIKeyFKPPZBZDWCWDGC-UHFFFAOYSA-N
XLogP5.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 10003802) is anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is Cc1c(C(=O)c2cccc3cc4ccccc4cc23)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is FKPPZBZDWCWDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-21-29(26-10-4-5-12-28(26)32(21)14-13-31-15-17-34-18-16-31)30(33)25-11-6-9-24-19-22-7-2-3-8-23(22)20-27(24)25/h2-12,19-20H,13-18H2,1H3.
What are the key properties of anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 448.57 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 10003802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).