ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid

C104H99N5O13 — CID 158222861

IUPACethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid
SMILESCCCCCn1cc(C(=O)c2ccc(C(=O)O)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C(=O)OC)c3ccccc23)c2ccccc21.CCOC(=O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.COC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H26N2O4.2C26H25NO3.C25H23NO3/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;1-3-4-9-16-27-17-23(20-12-7-8-13-24(20)27)25(28)21-14-15-22(26(29)30-2)19-11-6-5-10-18(19)21;1-2-30-25(28)16-7-8-17-27-18-23(21-13-5-6-15-24(21)27)26(29)22-14-9-11-19-10-3-4-12-20(19)22;1-2-3-8-15-26-16-22(19-11-6-7-12-23(19)26)24(27)20-13-14-21(25(28)29)18-10-5-4-9-17(18)20/h2-11,18H,12-17H2,1H3;5-8,10-15,17H,3-4,9,16H2,1-2H3;3-6,9-15,18H,2,7-8,16-17H2,1H3;4-7,9-14,16H,2-3,8,15H2,1H3,(H,28,29)
InChIKeyGDLKVSIHAVXEPJ-UHFFFAOYSA-N
MW1626.96 g/mol
LogP21.82
Rot. Bonds28

About ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid

ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid (PubChem CID 158222861) has the molecular formula C104H99N5O13 and a molecular weight of 1626.96 g/mol. Its IUPAC name is ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Nameethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid
PubChem CID158222861
Molecular FormulaC104H99N5O13
Molecular Weight1626.96 g/mol
Exact Mass1625.72
IUPAC Nameethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid
SMILESCCCCCn1cc(C(=O)c2ccc(C(=O)O)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C(=O)OC)c3ccccc23)c2ccccc21.CCOC(=O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.COC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12
InChIInChI=1S/C27H26N2O4.2C26H25NO3.C25H23NO3/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;1-3-4-9-16-27-17-23(20-12-7-8-13-24(20)27)25(28)21-14-15-22(26(29)30-2)19-11-6-5-10-18(19)21;1-2-30-25(28)16-7-8-17-27-18-23(21-13-5-6-15-24(21)27)26(29)22-14-9-11-19-10-3-4-12-20(19)22;1-2-3-8-15-26-16-22(19-11-6-7-12-23(19)26)24(27)20-13-14-21(25(28)29)18-10-5-4-9-17(18)20/h2-11,18H,12-17H2,1H3;5-8,10-15,17H,3-4,9,16H2,1-2H3;3-6,9-15,18H,2,7-8,16-17H2,1H3;4-7,9-14,16H,2-3,8,15H2,1H3,(H,28,29)
InChIKeyGDLKVSIHAVXEPJ-UHFFFAOYSA-N
XLogP21.82
TPSA216.67 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.96
LogP ≤ 521.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid?
The IUPAC name of ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid (CID 158222861) is ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid?
The canonical SMILES for ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid is CCCCCn1cc(C(=O)c2ccc(C(=O)O)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2ccc(C(=O)OC)c3ccccc23)c2ccccc21.CCOC(=O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.COC(=O)c1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12.
What is the InChIKey of ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid?
The InChIKey is GDLKVSIHAVXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4.2C26H25NO3.C25H23NO3/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;1-3-4-9-16-27-17-23(20-12-7-8-13-24(20)27)25(28)21-14-15-22(26(29)30-2)19-11-6-5-10-18(19)21;1-2-30-25(28)16-7-8-17-27-18-23(21-13-5-6-15-24(21)27)26(29)22-14-9-11-19-10-3-4-12-20(19)22;1-2-3-8-15-26-16-22(19-11-6-7-12-23(19)26)24(27)20-13-14-21(25(28)29)18-10-5-4-9-17(18)20/h2-11,18H,12-17H2,1H3;5-8,10-15,17H,3-4,9,16H2,1-2H3;3-6,9-15,18H,2,7-8,16-17H2,1H3;4-7,9-14,16H,2-3,8,15H2,1H3,(H,28,29).
What are the key properties of ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid?
ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid has a molecular weight of 1626.96 g/mol, XLogP of 21.82, 28 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 158222861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).