23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one

C24H20N2O2 — CID 102510836

IUPAC23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one
SMILESCC(O)CC1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
InChIInChI=1S/C24H20N2O2/c1-12(27)10-16-13-6-2-3-7-14(13)20-21(16)23-19(17-11-25-24(28)22(17)20)15-8-4-5-9-18(15)26-23/h2-9,12,16,26-27H,10-11H2,1H3,(H,25,28)
InChIKeyPTFLISJAAPDVER-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds2

About 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one

23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one (PubChem CID 102510836) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one.

Molecular Properties

Compound Name23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one
PubChem CID102510836
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one
SMILESCC(O)CC1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
InChIInChI=1S/C24H20N2O2/c1-12(27)10-16-13-6-2-3-7-14(13)20-21(16)23-19(17-11-25-24(28)22(17)20)15-8-4-5-9-18(15)26-23/h2-9,12,16,26-27H,10-11H2,1H3,(H,25,28)
InChIKeyPTFLISJAAPDVER-UHFFFAOYSA-N
XLogP4.45
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one?
The IUPAC name of 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one (CID 102510836) is 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one.
What is the SMILES notation for 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one?
The canonical SMILES for 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one is CC(O)CC1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O.
What is the InChIKey of 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one?
The InChIKey is PTFLISJAAPDVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-12(27)10-16-13-6-2-3-7-14(13)20-21(16)23-19(17-11-25-24(28)22(17)20)15-8-4-5-9-18(15)26-23/h2-9,12,16,26-27H,10-11H2,1H3,(H,25,28).
What are the key properties of 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one?
23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one has a molecular weight of 368.44 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one is sourced from PubChem (CID 102510836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).