6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid

C16H16N2O3 — CID 61355615

IUPAC6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
SMILESCOc1ccc2nc3c(c(C(=O)O)c2c1)N1CCC3CC1
InChIInChI=1S/C16H16N2O3/c1-21-10-2-3-12-11(8-10)13(16(19)20)15-14(17-12)9-4-6-18(15)7-5-9/h2-3,8-9H,4-7H2,1H3,(H,19,20)
InChIKeyPVRSEOJVZAKNQF-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.64
Rot. Bonds2

About 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid

6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid (PubChem CID 61355615) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
PubChem CID61355615
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
SMILESCOc1ccc2nc3c(c(C(=O)O)c2c1)N1CCC3CC1
InChIInChI=1S/C16H16N2O3/c1-21-10-2-3-12-11(8-10)13(16(19)20)15-14(17-12)9-4-6-18(15)7-5-9/h2-3,8-9H,4-7H2,1H3,(H,19,20)
InChIKeyPVRSEOJVZAKNQF-UHFFFAOYSA-N
XLogP2.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid?
The IUPAC name of 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid (CID 61355615) is 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid?
The canonical SMILES for 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid is COc1ccc2nc3c(c(C(=O)O)c2c1)N1CCC3CC1.
What is the InChIKey of 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid?
The InChIKey is PVRSEOJVZAKNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-10-2-3-12-11(8-10)13(16(19)20)15-14(17-12)9-4-6-18(15)7-5-9/h2-3,8-9H,4-7H2,1H3,(H,19,20).
What are the key properties of 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid?
6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid is sourced from PubChem (CID 61355615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).