4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline

C16H13N3O — CID 44587499

IUPAC4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
SMILESCOc1cc2cccnc2c2nc(C)c3cc[nH]c3c12
InChIInChI=1S/C16H13N3O/c1-9-11-5-7-18-15(11)13-12(20-2)8-10-4-3-6-17-14(10)16(13)19-9/h3-8,18H,1-2H3
InChIKeyTXAWJOBFXRMHPM-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.58
Rot. Bonds1

About 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline

4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline (PubChem CID 44587499) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline.

Molecular Properties

Compound Name4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
PubChem CID44587499
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
SMILESCOc1cc2cccnc2c2nc(C)c3cc[nH]c3c12
InChIInChI=1S/C16H13N3O/c1-9-11-5-7-18-15(11)13-12(20-2)8-10-4-3-6-17-14(10)16(13)19-9/h3-8,18H,1-2H3
InChIKeyTXAWJOBFXRMHPM-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline?
The IUPAC name of 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline (CID 44587499) is 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline.
What is the SMILES notation for 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline?
The canonical SMILES for 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline is COc1cc2cccnc2c2nc(C)c3cc[nH]c3c12.
What is the InChIKey of 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline?
The InChIKey is TXAWJOBFXRMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-9-11-5-7-18-15(11)13-12(20-2)8-10-4-3-6-17-14(10)16(13)19-9/h3-8,18H,1-2H3.
What are the key properties of 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline?
4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline has a molecular weight of 263.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline is sourced from PubChem (CID 44587499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).