10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

C25H21N3O — CID 71453158

IUPAC10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4cnc5ccccc5c4)nc23)O1
InChIInChI=1S/C25H21N3O/c1-25(2)12-11-19-22-21(17-8-4-5-9-18(17)23(19)29-25)27-24(28-22)16-13-15-7-3-6-10-20(15)26-14-16/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)
InChIKeyMNRPVFDMGCQARR-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.03
Rot. Bonds1

About 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene

10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (PubChem CID 71453158) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.

Molecular Properties

Compound Name10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
PubChem CID71453158
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
SMILESCC1(C)CCc2c(c3ccccc3c3[nH]c(-c4cnc5ccccc5c4)nc23)O1
InChIInChI=1S/C25H21N3O/c1-25(2)12-11-19-22-21(17-8-4-5-9-18(17)23(19)29-25)27-24(28-22)16-13-15-7-3-6-10-20(15)26-14-16/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)
InChIKeyMNRPVFDMGCQARR-UHFFFAOYSA-N
XLogP6.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The IUPAC name of 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene (CID 71453158) is 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene.
What is the SMILES notation for 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The canonical SMILES for 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is CC1(C)CCc2c(c3ccccc3c3[nH]c(-c4cnc5ccccc5c4)nc23)O1.
What is the InChIKey of 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
The InChIKey is MNRPVFDMGCQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-25(2)12-11-19-22-21(17-8-4-5-9-18(17)23(19)29-25)27-24(28-22)16-13-15-7-3-6-10-20(15)26-14-16/h3-10,13-14H,11-12H2,1-2H3,(H,27,28).
What are the key properties of 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene?
10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene has a molecular weight of 379.46 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-4-quinolin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene is sourced from PubChem (CID 71453158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).