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

C24H18N2O2 — CID 18847748

IUPACnaphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C24H18N2O2/c27-24(28-21-7-3-5-14-4-1-2-6-18(14)21)17-10-11-19-20(13-17)26-23-16-9-8-15(12-16)22(23)25-19/h1-7,10-11,13,15-16H,8-9,12H2
InChIKeyUGZXBVAVANAVIT-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.37
Rot. Bonds2

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

naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate (PubChem CID 18847748) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
PubChem CID18847748
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Namenaphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C24H18N2O2/c27-24(28-21-7-3-5-14-4-1-2-6-18(14)21)17-10-11-19-20(13-17)26-23-16-9-8-15(12-16)22(23)25-19/h1-7,10-11,13,15-16H,8-9,12H2
InChIKeyUGZXBVAVANAVIT-UHFFFAOYSA-N
XLogP5.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
[(1R,12R)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl]methanol
CID 129412804
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dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847653
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The IUPAC name of naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate (CID 18847748) is naphthalen-1-yl 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 naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The canonical SMILES for naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate is O=C(Oc1cccc2ccccc12)c1ccc2nc3c(nc2c1)C1CCC3C1.
What is the InChIKey of naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
The InChIKey is UGZXBVAVANAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24(28-21-7-3-5-14-4-1-2-6-18(14)21)17-10-11-19-20(13-17)26-23-16-9-8-15(12-16)22(23)25-19/h1-7,10-11,13,15-16H,8-9,12H2.
What are the key properties of naphthalen-1-yl 3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxylate?
naphthalen-1-yl 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 366.42 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 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 18847748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).