11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

C23H17ClN2O2 — CID 58240772

IUPAC11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1ccc2c(c1)c1c3ccc(C)nc3oc(=O)c1n2Cc1ccccc1Cl
InChIInChI=1S/C23H17ClN2O2/c1-13-7-10-19-17(11-13)20-16-9-8-14(2)25-22(16)28-23(27)21(20)26(19)12-15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
InChIKeyPDANDDCNVHKIBM-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.61
Rot. Bonds2

About 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 58240772) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID58240772
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1ccc2c(c1)c1c3ccc(C)nc3oc(=O)c1n2Cc1ccccc1Cl
InChIInChI=1S/C23H17ClN2O2/c1-13-7-10-19-17(11-13)20-16-9-8-14(2)25-22(16)28-23(27)21(20)26(19)12-15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
InChIKeyPDANDDCNVHKIBM-UHFFFAOYSA-N
XLogP5.61
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[(2-chlorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 25217035
11-[(4-chloroquinolin-3-yl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58240673
11-[(3-fluoro-2-methylphenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58132314
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 25217037
2-[3-[(2-chlorophenyl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53026351
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
15-chloro-11-[(2-fluoro-5-nitrophenyl)methyl]-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 25217858
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
2-[3-[(2-chlorophenyl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2-methylphenyl)acetamide
CID 53026350
15-bromo-11-[(2,5-difluorophenyl)methyl]-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 25218117

Frequently Asked Questions

What is the IUPAC name of 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (CID 58240772) is 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is Cc1ccc2c(c1)c1c3ccc(C)nc3oc(=O)c1n2Cc1ccccc1Cl.
What is the InChIKey of 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is PDANDDCNVHKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-13-7-10-19-17(11-13)20-16-9-8-14(2)25-22(16)28-23(27)21(20)26(19)12-15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3.
What are the key properties of 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 388.85 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 58240772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).