17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one

C22H15ClN2O2 — CID 10022315

IUPAC17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one
SMILESCn1c(-c2ccccc2)c2n(c1=O)-c1cc(Cl)ccc1Oc1ccccc1-2
InChIInChI=1S/C22H15ClN2O2/c1-24-20(14-7-3-2-4-8-14)21-16-9-5-6-10-18(16)27-19-12-11-15(23)13-17(19)25(21)22(24)26/h2-13H,1H3
InChIKeyXGBXRKUHFSPAOQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.27
Rot. Bonds1

About 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one

17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one (PubChem CID 10022315) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one.

Molecular Properties

Compound Name17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one
PubChem CID10022315
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one
SMILESCn1c(-c2ccccc2)c2n(c1=O)-c1cc(Cl)ccc1Oc1ccccc1-2
InChIInChI=1S/C22H15ClN2O2/c1-24-20(14-7-3-2-4-8-14)21-16-9-5-6-10-18(16)27-19-12-11-15(23)13-17(19)25(21)22(24)26/h2-13H,1H3
InChIKeyXGBXRKUHFSPAOQ-UHFFFAOYSA-N
XLogP5.27
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one?
The IUPAC name of 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one (CID 10022315) is 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one.
What is the SMILES notation for 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one?
The canonical SMILES for 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one is Cn1c(-c2ccccc2)c2n(c1=O)-c1cc(Cl)ccc1Oc1ccccc1-2.
What is the InChIKey of 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one?
The InChIKey is XGBXRKUHFSPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c1-24-20(14-7-3-2-4-8-14)21-16-9-5-6-10-18(16)27-19-12-11-15(23)13-17(19)25(21)22(24)26/h2-13H,1H3.
What are the key properties of 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one?
17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one has a molecular weight of 374.83 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-chloro-4-methyl-5-phenyl-13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaen-3-one is sourced from PubChem (CID 10022315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).