2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide

C46H52F2N6O4 — CID 10190850

IUPAC2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide
SMILESO=C(c1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C46H52F2N6O4/c47-37-7-9-43-39(29-37)35(31-49-43)11-17-53(15-3-13-51-19-23-57-24-20-51)45(55)41-27-33-5-1-2-6-34(33)28-42(41)46(56)54(16-4-14-52-21-25-58-26-22-52)18-12-36-32-50-44-10-8-38(48)30-40(36)44/h1-2,5-10,27-32,49-50H,3-4,11-26H2
InChIKeyHGIUDHYDLZSOAJ-UHFFFAOYSA-N
MW790.96 g/mol
LogP6.89
Rot. Bonds16

About 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide

2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide (PubChem CID 10190850) has the molecular formula C46H52F2N6O4 and a molecular weight of 790.96 g/mol. Its IUPAC name is 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide
PubChem CID10190850
Molecular FormulaC46H52F2N6O4
Molecular Weight790.96 g/mol
Exact Mass790.40
IUPAC Name2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide
SMILESO=C(c1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C46H52F2N6O4/c47-37-7-9-43-39(29-37)35(31-49-43)11-17-53(15-3-13-51-19-23-57-24-20-51)45(55)41-27-33-5-1-2-6-34(33)28-42(41)46(56)54(16-4-14-52-21-25-58-26-22-52)18-12-36-32-50-44-10-8-38(48)30-40(36)44/h1-2,5-10,27-32,49-50H,3-4,11-26H2
InChIKeyHGIUDHYDLZSOAJ-UHFFFAOYSA-N
XLogP6.89
TPSA97.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.96
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide (CID 10190850) is 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide is O=C(c1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12)N(CCCN1CCOCC1)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide?
The InChIKey is HGIUDHYDLZSOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52F2N6O4/c47-37-7-9-43-39(29-37)35(31-49-43)11-17-53(15-3-13-51-19-23-57-24-20-51)45(55)41-27-33-5-1-2-6-34(33)28-42(41)46(56)54(16-4-14-52-21-25-58-26-22-52)18-12-36-32-50-44-10-8-38(48)30-40(36)44/h1-2,5-10,27-32,49-50H,3-4,11-26H2.
What are the key properties of 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide?
2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide has a molecular weight of 790.96 g/mol, XLogP of 6.89, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-N,3-N-bis(3-morpholin-4-ylpropyl)naphthalene-2,3-dicarboxamide is sourced from PubChem (CID 10190850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).