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

C18H19N2O2- — CID 4861023

IUPAC1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
SMILESCC12CCC(C)(c3nc4cc(C(=O)[O-])ccc4nc31)C2(C)C
InChIInChI=1S/C18H20N2O2/c1-16(2)17(3)7-8-18(16,4)14-13(17)19-11-6-5-10(15(21)22)9-12(11)20-14/h5-6,9H,7-8H2,1-4H3,(H,21,22)/p-1
InChIKeyFOZFCPZHKDALRC-UHFFFAOYSA-M
MW295.36 g/mol
LogP2.34
Rot. Bonds1

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

1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate (PubChem CID 4861023) has the molecular formula C18H19N2O2- and a molecular weight of 295.36 g/mol. Its IUPAC name is 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate.

Molecular Properties

Compound Name1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
PubChem CID4861023
Molecular FormulaC18H19N2O2-
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
SMILESCC12CCC(C)(c3nc4cc(C(=O)[O-])ccc4nc31)C2(C)C
InChIInChI=1S/C18H20N2O2/c1-16(2)17(3)7-8-18(16,4)14-13(17)19-11-6-5-10(15(21)22)9-12(11)20-14/h5-6,9H,7-8H2,1-4H3,(H,21,22)/p-1
InChIKeyFOZFCPZHKDALRC-UHFFFAOYSA-M
XLogP2.34
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The IUPAC name of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate (CID 4861023) is 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate.
What is the SMILES notation for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The canonical SMILES for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate is CC12CCC(C)(c3nc4cc(C(=O)[O-])ccc4nc31)C2(C)C.
What is the InChIKey of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The InChIKey is FOZFCPZHKDALRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N2O2/c1-16(2)17(3)7-8-18(16,4)14-13(17)19-11-6-5-10(15(21)22)9-12(11)20-14/h5-6,9H,7-8H2,1-4H3,(H,21,22)/p-1.
What are the key properties of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate is sourced from PubChem (CID 4861023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).