3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

C23H17N3O3 — CID 5330712

IUPAC3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCCO
InChIInChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)
InChIKeyLHYCLKRBIKAHMK-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.69
Rot. Bonds3

About 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 5330712) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
PubChem CID5330712
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCCO
InChIInChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)
InChIKeyLHYCLKRBIKAHMK-UHFFFAOYSA-N
XLogP3.69
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (CID 5330712) is 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is LHYCLKRBIKAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29).
What are the key properties of 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 383.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 5330712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).