quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

C28H27N3O2 — CID 3258223

IUPACquinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2cccc4cccnc24)CCC3(C)C1(C)C
InChIInChI=1S/C28H27N3O2/c1-16-14-19-20(15-17(16)2)31-24-23(30-19)27(5)11-12-28(24,26(27,3)4)25(32)33-21-10-6-8-18-9-7-13-29-22(18)21/h6-10,13-15H,11-12H2,1-5H3
InChIKeyXCKSGOLYGOMVEP-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.73
Rot. Bonds2

About quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (PubChem CID 3258223) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
PubChem CID3258223
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Namequinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2cccc4cccnc24)CCC3(C)C1(C)C
InChIInChI=1S/C28H27N3O2/c1-16-14-19-20(15-17(16)2)31-24-23(30-19)27(5)11-12-28(24,26(27,3)4)25(32)33-21-10-6-8-18-9-7-13-29-22(18)21/h6-10,13-15H,11-12H2,1-5H3
InChIKeyXCKSGOLYGOMVEP-UHFFFAOYSA-N
XLogP5.73
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate with MolForge

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Related Compounds

pyridin-3-yl 4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylate
CID 17586027
Quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate
CID 39966182
Phenyl 3-[17-(2-phenylethyl)-2,9,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl]propanoate
CID 164705482
Phenyl 2-(17-benzyl-2,9,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-yl)acetate
CID 164705570
8-Quinolinyl 6-quinoxalinecarboxylate
CID 2980708
(3,5-Dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3252147
Naphthalen-1-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3252150
Naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3254294
(4-Propan-2-ylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3258031
(2-Methylquinolin-8-yl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3258224
(5,7-Dibromoquinolin-8-yl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3264239
[4-(4-Cyanophenyl)phenyl] 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
CID 3265806

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The IUPAC name of quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (CID 3258223) is quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.
What is the SMILES notation for quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The canonical SMILES for quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is Cc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2cccc4cccnc24)CCC3(C)C1(C)C.
What is the InChIKey of quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The InChIKey is XCKSGOLYGOMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-16-14-19-20(15-17(16)2)31-24-23(30-19)27(5)11-12-28(24,26(27,3)4)25(32)33-21-10-6-8-18-9-7-13-29-22(18)21/h6-10,13-15H,11-12H2,1-5H3.
What are the key properties of quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is sourced from PubChem (CID 3258223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).