methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate

C18H16N2O3 — CID 15542007

IUPACmethyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C(C)C)c3cc4ccccc1c4n23
InChIInChI=1S/C18H16N2O3/c1-10(2)19-15-8-11-6-4-5-7-12-13(18(22)23-3)9-14(17(19)21)20(15)16(11)12/h4-10H,1-3H3
InChIKeyOGDNFDPRPWWLNO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.21
Rot. Bonds2

About methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate

methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate (PubChem CID 15542007) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate
PubChem CID15542007
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C(C)C)c3cc4ccccc1c4n23
InChIInChI=1S/C18H16N2O3/c1-10(2)19-15-8-11-6-4-5-7-12-13(18(22)23-3)9-14(17(19)21)20(15)16(11)12/h4-10H,1-3H3
InChIKeyOGDNFDPRPWWLNO-UHFFFAOYSA-N
XLogP3.21
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate?
The IUPAC name of methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate (CID 15542007) is methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate?
The canonical SMILES for methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate is COC(=O)c1cc2c(=O)n(C(C)C)c3cc4ccccc1c4n23.
What is the InChIKey of methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate?
The InChIKey is OGDNFDPRPWWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10(2)19-15-8-11-6-4-5-7-12-13(18(22)23-3)9-14(17(19)21)20(15)16(11)12/h4-10H,1-3H3.
What are the key properties of methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate?
methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate is sourced from PubChem (CID 15542007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).