methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate

C27H26N2O4 — CID 72948426

IUPACmethyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H26N2O4/c1-32-27(31)23-11-10-22(19-6-2-3-7-20(19)23)26(30)24-18-29(25-9-5-4-8-21(24)25)13-12-28-14-16-33-17-15-28/h2-11,18H,12-17H2,1H3
InChIKeyWMASQEJCLOZLAR-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.14
Rot. Bonds6

About methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate

methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate (PubChem CID 72948426) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate
PubChem CID72948426
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Namemethyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H26N2O4/c1-32-27(31)23-11-10-22(19-6-2-3-7-20(19)23)26(30)24-18-29(25-9-5-4-8-21(24)25)13-12-28-14-16-33-17-15-28/h2-11,18H,12-17H2,1H3
InChIKeyWMASQEJCLOZLAR-UHFFFAOYSA-N
XLogP4.14
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate?
The IUPAC name of methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate (CID 72948426) is methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate?
The canonical SMILES for methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate is COC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate?
The InChIKey is WMASQEJCLOZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-27(31)23-11-10-22(19-6-2-3-7-20(19)23)26(30)24-18-29(25-9-5-4-8-21(24)25)13-12-28-14-16-33-17-15-28/h2-11,18H,12-17H2,1H3.
What are the key properties of methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate?
methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate is sourced from PubChem (CID 72948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).