(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

C29H29N3O2 — CID 3258224

IUPAC(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
SMILESCc1ccc2cccc(OC(=O)C34CCC(C)(c5nc6cc(C)c(C)cc6nc53)C4(C)C)c2n1
InChIInChI=1S/C29H29N3O2/c1-16-14-20-21(15-17(16)2)32-25-24(31-20)28(6)12-13-29(25,27(28,4)5)26(33)34-22-9-7-8-19-11-10-18(3)30-23(19)22/h7-11,14-15H,12-13H2,1-6H3
InChIKeyVPFIEILOIHAZLH-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.04
Rot. Bonds2

About (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

(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 (PubChem CID 3258224) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID3258224
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name(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
SMILESCc1ccc2cccc(OC(=O)C34CCC(C)(c5nc6cc(C)c(C)cc6nc53)C4(C)C)c2n1
InChIInChI=1S/C29H29N3O2/c1-16-14-20-21(15-17(16)2)32-25-24(31-20)28(6)12-13-29(25,27(28,4)5)26(33)34-22-9-7-8-19-11-10-18(3)30-23(19)22/h7-11,14-15H,12-13H2,1-6H3
InChIKeyVPFIEILOIHAZLH-UHFFFAOYSA-N
XLogP6.04
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc2cccc(OC(=O)C34CCC(C)(c5nc6cc(C)c(C)cc6nc53)C4(C)C)c2n1.
What is the InChIKey of (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?
The InChIKey is VPFIEILOIHAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-16-14-20-21(15-17(16)2)32-25-24(31-20)28(6)12-13-29(25,27(28,4)5)26(33)34-22-9-7-8-19-11-10-18(3)30-23(19)22/h7-11,14-15H,12-13H2,1-6H3.
What are the key properties of (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?
(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 has a molecular weight of 451.57 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 3258224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).