11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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

C25H13ClF3N3O2 — CID 25218376

IUPAC11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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
SMILESO=c1oc2ncccc2c2c3cc(C(F)(F)F)ccc3n(Cc3cc4ccccc4nc3Cl)c12
InChIInChI=1S/C25H13ClF3N3O2/c26-22-14(10-13-4-1-2-6-18(13)31-22)12-32-19-8-7-15(25(27,28)29)11-17(19)20-16-5-3-9-30-23(16)34-24(33)21(20)32/h1-11H,12H2
InChIKeyGICFZGJWZJJVQV-UHFFFAOYSA-N
MW479.85 g/mol
LogP6.56
Rot. Bonds2

About 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 25218376) has the molecular formula C25H13ClF3N3O2 and a molecular weight of 479.85 g/mol. Its IUPAC name is 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 CID25218376
Molecular FormulaC25H13ClF3N3O2
Molecular Weight479.85 g/mol
Exact Mass479.06
IUPAC Name11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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
SMILESO=c1oc2ncccc2c2c3cc(C(F)(F)F)ccc3n(Cc3cc4ccccc4nc3Cl)c12
InChIInChI=1S/C25H13ClF3N3O2/c26-22-14(10-13-4-1-2-6-18(13)31-22)12-32-19-8-7-15(25(27,28)29)11-17(19)20-16-5-3-9-30-23(16)34-24(33)21(20)32/h1-11H,12H2
InChIKeyGICFZGJWZJJVQV-UHFFFAOYSA-N
XLogP6.56
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 25218376) is 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 O=c1oc2ncccc2c2c3cc(C(F)(F)F)ccc3n(Cc3cc4ccccc4nc3Cl)c12.
What is the InChIKey of 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 GICFZGJWZJJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13ClF3N3O2/c26-22-14(10-13-4-1-2-6-18(13)31-22)12-32-19-8-7-15(25(27,28)29)11-17(19)20-16-5-3-9-30-23(16)34-24(33)21(20)32/h1-11H,12H2.
What are the key properties of 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 479.85 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-chloroquinolin-3-yl)methyl]-15-(trifluoromethyl)-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 25218376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).