6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine

C25H31NO4 — CID 88926885

IUPAC6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCCCN1CCc2c(c3cc(OC)c(OC)cc3c3c(C)c(OC)c(OC)cc23)C1
InChIInChI=1S/C25H31NO4/c1-7-9-26-10-8-16-18-13-23(29-5)25(30-6)15(2)24(18)19-12-22(28-4)21(27-3)11-17(19)20(16)14-26/h11-13H,7-10,14H2,1-6H3
InChIKeyATRVSICDCFCBTE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.10
Rot. Bonds6

About 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine

6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (PubChem CID 88926885) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
PubChem CID88926885
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCCCN1CCc2c(c3cc(OC)c(OC)cc3c3c(C)c(OC)c(OC)cc23)C1
InChIInChI=1S/C25H31NO4/c1-7-9-26-10-8-16-18-13-23(29-5)25(30-6)15(2)24(18)19-12-22(28-4)21(27-3)11-17(19)20(16)14-26/h11-13H,7-10,14H2,1-6H3
InChIKeyATRVSICDCFCBTE-UHFFFAOYSA-N
XLogP5.10
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The IUPAC name of 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (CID 88926885) is 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.
What is the SMILES notation for 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The canonical SMILES for 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is CCCN1CCc2c(c3cc(OC)c(OC)cc3c3c(C)c(OC)c(OC)cc23)C1.
What is the InChIKey of 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The InChIKey is ATRVSICDCFCBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-7-9-26-10-8-16-18-13-23(29-5)25(30-6)15(2)24(18)19-12-22(28-4)21(27-3)11-17(19)20(16)14-26/h11-13H,7-10,14H2,1-6H3.
What are the key properties of 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine has a molecular weight of 409.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is sourced from PubChem (CID 88926885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).