15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C36H31N3O3S — CID 23595955

IUPAC15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC2(C(=O)N3CCOCC3)c3ccccc3C1c1ccccc12
InChIInChI=1S/C36H31N3O3S/c1-35(32(40)38-34-37-30(21-43-34)25-14-8-10-23-9-2-3-11-24(23)25)22-36(33(41)39-17-19-42-20-18-39)28-15-6-4-12-26(28)31(35)27-13-5-7-16-29(27)36/h2-16,21,31H,17-20,22H2,1H3,(H,37,38,40)
InChIKeyGWSUPRLQGJLERJ-UHFFFAOYSA-N
MW585.73 g/mol
LogP6.60
Rot. Bonds4

About 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23595955) has the molecular formula C36H31N3O3S and a molecular weight of 585.73 g/mol. Its IUPAC name is 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23595955
Molecular FormulaC36H31N3O3S
Molecular Weight585.73 g/mol
Exact Mass585.21
IUPAC Name15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC2(C(=O)N3CCOCC3)c3ccccc3C1c1ccccc12
InChIInChI=1S/C36H31N3O3S/c1-35(32(40)38-34-37-30(21-43-34)25-14-8-10-23-9-2-3-11-24(23)25)22-36(33(41)39-17-19-42-20-18-39)28-15-6-4-12-26(28)31(35)27-13-5-7-16-29(27)36/h2-16,21,31H,17-20,22H2,1H3,(H,37,38,40)
InChIKeyGWSUPRLQGJLERJ-UHFFFAOYSA-N
XLogP6.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23595955) is 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC2(C(=O)N3CCOCC3)c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is GWSUPRLQGJLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3O3S/c1-35(32(40)38-34-37-30(21-43-34)25-14-8-10-23-9-2-3-11-24(23)25)22-36(33(41)39-17-19-42-20-18-39)28-15-6-4-12-26(28)31(35)27-13-5-7-16-29(27)36/h2-16,21,31H,17-20,22H2,1H3,(H,37,38,40).
What are the key properties of 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 585.73 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8-(morpholine-4-carbonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23595955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).