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

C25H16ClN3O2 — CID 58240673

IUPAC11-[(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
SMILESCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1Cl
InChIInChI=1S/C25H16ClN3O2/c1-14-8-9-20-18(11-14)21-17-6-4-10-27-24(17)31-25(30)23(21)29(20)13-15-12-28-19-7-3-2-5-16(19)22(15)26/h2-12H,13H2,1H3
InChIKeyFWWYNWFVZFFUDI-UHFFFAOYSA-N
MW425.88 g/mol
LogP5.85
Rot. Bonds2

About 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

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 (PubChem CID 58240673) has the molecular formula C25H16ClN3O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[(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
PubChem CID58240673
Molecular FormulaC25H16ClN3O2
Molecular Weight425.88 g/mol
Exact Mass425.09
IUPAC Name11-[(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
SMILESCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1Cl
InChIInChI=1S/C25H16ClN3O2/c1-14-8-9-20-18(11-14)21-17-6-4-10-27-24(17)31-25(30)23(21)29(20)13-15-12-28-19-7-3-2-5-16(19)22(15)26/h2-12H,13H2,1H3
InChIKeyFWWYNWFVZFFUDI-UHFFFAOYSA-N
XLogP5.85
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1Cl.
What is the InChIKey of 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?
The InChIKey is FWWYNWFVZFFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O2/c1-14-8-9-20-18(11-14)21-17-6-4-10-27-24(17)31-25(30)23(21)29(20)13-15-12-28-19-7-3-2-5-16(19)22(15)26/h2-12H,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 425.88 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58240673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).