4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

C36H45ClN4O7 — CID 163062702

IUPAC4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
SMILESCOC1C(=O)OC(C)C(C)C=C(C)CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(=O)NC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C36H45ClN4O7/c1-19-14-20(2)23(5)48-36(46)32(47-7)31(24-12-13-30(42)27(37)16-24)40-34(44)29(17-25-18-38-28-11-9-8-10-26(25)28)41(6)35(45)22(4)39-33(43)21(3)15-19/h8-14,16,18,20-23,29,31-32,38,42H,15,17H2,1-7H3,(H,39,43)(H,40,44)
InChIKeyMWOUIFPDXGZUPG-UHFFFAOYSA-N
MW681.23 g/mol
LogP4.83
Rot. Bonds4

About 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone (PubChem CID 163062702) has the molecular formula C36H45ClN4O7 and a molecular weight of 681.23 g/mol. Its IUPAC name is 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone.

Molecular Properties

Compound Name4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
PubChem CID163062702
Molecular FormulaC36H45ClN4O7
Molecular Weight681.23 g/mol
Exact Mass680.30
IUPAC Name4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
SMILESCOC1C(=O)OC(C)C(C)C=C(C)CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(=O)NC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C36H45ClN4O7/c1-19-14-20(2)23(5)48-36(46)32(47-7)31(24-12-13-30(42)27(37)16-24)40-34(44)29(17-25-18-38-28-11-9-8-10-26(25)28)41(6)35(45)22(4)39-33(43)21(3)15-19/h8-14,16,18,20-23,29,31-32,38,42H,15,17H2,1-7H3,(H,39,43)(H,40,44)
InChIKeyMWOUIFPDXGZUPG-UHFFFAOYSA-N
XLogP4.83
TPSA150.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.23
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Sar)WTLNSAGYLLGPKKKK
CID 44563951
(Sar)WTLNSAGYLLGPKK(Lys-octanoyl)K
CID 44563952
Chondramide C
CID 25058784
(Sar)WTLNSAGYLLGPKK(Lys-MPEG4)K
CID 44563958
(Sar)WTLNSAGYLLGPKK(Lys-decanoyl)K
CID 44563953
(Sar)WTLNSAGYLLGPKK(Lys-palmitoyl)K
CID 44563956
Jasplakinolide Q
CID 46700819
Chondramide A
CID 46217451
(Sar)WTLNSAGYLLGPKK(Lys-lauroyl)K
CID 44563954
(Sar)WTLNSAGYLLGPKK(Lys-myristoyl)K
CID 44563955
(Sar)WTLNSAGYLLGPKK(Lys-stearoyl)K
CID 44563957
beta3-Tetrapeptide
CID 73755026

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone (CID 163062702) is 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone.
What is the SMILES notation for 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The canonical SMILES for 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone is COC1C(=O)OC(C)C(C)C=C(C)CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2c[nH]c3ccccc23)C(=O)NC1c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
The InChIKey is MWOUIFPDXGZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45ClN4O7/c1-19-14-20(2)23(5)48-36(46)32(47-7)31(24-12-13-30(42)27(37)16-24)40-34(44)29(17-25-18-38-28-11-9-8-10-26(25)28)41(6)35(45)22(4)39-33(43)21(3)15-19/h8-14,16,18,20-23,29,31-32,38,42H,15,17H2,1-7H3,(H,39,43)(H,40,44).
What are the key properties of 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone?
4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone has a molecular weight of 681.23 g/mol, XLogP of 4.83, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone is sourced from PubChem (CID 163062702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).