19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene

C24H15ClN2O — CID 139337304

IUPAC19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc3c(nc21)oc1ccc(Cl)cc13
InChIInChI=1S/C24H15ClN2O/c1-12-3-6-15-17(9-12)18-10-13(2)4-7-16(18)22-21(15)26-23-19-11-14(25)5-8-20(19)28-24(23)27-22/h3-11H,1-2H3
InChIKeyRQUWFEFFXUWEDA-UHFFFAOYSA-N
MW382.85 g/mol
LogP7.11
Rot. Bonds

About 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene

19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene (PubChem CID 139337304) has the molecular formula C24H15ClN2O and a molecular weight of 382.85 g/mol. Its IUPAC name is 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene.

Molecular Properties

Compound Name19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
PubChem CID139337304
Molecular FormulaC24H15ClN2O
Molecular Weight382.85 g/mol
Exact Mass382.09
IUPAC Name19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc3c(nc21)oc1ccc(Cl)cc13
InChIInChI=1S/C24H15ClN2O/c1-12-3-6-15-17(9-12)18-10-13(2)4-7-16(18)22-21(15)26-23-19-11-14(25)5-8-20(19)28-24(23)27-22/h3-11H,1-2H3
InChIKeyRQUWFEFFXUWEDA-UHFFFAOYSA-N
XLogP7.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?
The IUPAC name of 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene (CID 139337304) is 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene.
What is the SMILES notation for 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?
The canonical SMILES for 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene is Cc1ccc2c(c1)c1cc(C)ccc1c1nc3c(nc21)oc1ccc(Cl)cc13.
What is the InChIKey of 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?
The InChIKey is RQUWFEFFXUWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O/c1-12-3-6-15-17(9-12)18-10-13(2)4-7-16(18)22-21(15)26-23-19-11-14(25)5-8-20(19)28-24(23)27-22/h3-11H,1-2H3.
What are the key properties of 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?
19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene has a molecular weight of 382.85 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-chloro-5,10-dimethyl-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene is sourced from PubChem (CID 139337304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).