3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione

C24H19N3O4 — CID 5330758

IUPAC3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCOc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCO)c2c1)C(=O)NC4=O
InChIInChI=1S/C24H19N3O4/c1-26-8-7-12-3-5-15-18(21(12)26)20-19(23(29)25-24(20)30)17-14-6-4-13(31-2)11-16(14)27(9-10-28)22(15)17/h3-8,11,28H,9-10H2,1-2H3,(H,25,29,30)
InChIKeyNYEAMHXTSOXUPE-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.32
Rot. Bonds3

About 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione

3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione (PubChem CID 5330758) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione
PubChem CID5330758
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione
SMILESCOc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCO)c2c1)C(=O)NC4=O
InChIInChI=1S/C24H19N3O4/c1-26-8-7-12-3-5-15-18(21(12)26)20-19(23(29)25-24(20)30)17-14-6-4-13(31-2)11-16(14)27(9-10-28)22(15)17/h3-8,11,28H,9-10H2,1-2H3,(H,25,29,30)
InChIKeyNYEAMHXTSOXUPE-UHFFFAOYSA-N
XLogP3.32
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione with MolForge

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Related Compounds

9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo(3,4-C)carbazole-1,3(2H,6H)-dione
CID 10364585
3-[3-(Dimethylamino)-2-hydroxypropyl]-7-methoxy-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 3500
Indolocarbazole deriv. 3n
CID 5327860
24-(Hydroxymethyl)-7-methoxy-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5(10),6,8,11,16,18,20,22(26)-nonaene-13,15-dione
CID 5330695
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3f
CID 5330724
8-Methoxy-3-methyl-3H-indolo[6,7-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione
CID 5330730
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3t
CID 5330738
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3u
CID 5330739
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3v
CID 5330740
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3w
CID 5330741
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3y
CID 5330743
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3aa
CID 5330745

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione?
The IUPAC name of 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione (CID 5330758) is 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione is COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCO)c2c1)C(=O)NC4=O.
What is the InChIKey of 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione?
The InChIKey is NYEAMHXTSOXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-26-8-7-12-3-5-15-18(21(12)26)20-19(23(29)25-24(20)30)17-14-6-4-13(31-2)11-16(14)27(9-10-28)22(15)17/h3-8,11,28H,9-10H2,1-2H3,(H,25,29,30).
What are the key properties of 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione?
3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione has a molecular weight of 413.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione is sourced from PubChem (CID 5330758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).