ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate

C30H36N2O2 — CID 66665662

IUPACethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate
SMILESCCOC(=O)CCCCCCN1c2nc(-c3ccccc3)c(-c3ccccc3)cc2CCC1C
InChIInChI=1S/C30H36N2O2/c1-3-34-28(33)18-12-4-5-13-21-32-23(2)19-20-26-22-27(24-14-8-6-9-15-24)29(31-30(26)32)25-16-10-7-11-17-25/h6-11,14-17,22-23H,3-5,12-13,18-21H2,1-2H3
InChIKeyHNUAKWRQNAOCFZ-UHFFFAOYSA-N
MW456.63 g/mol
LogP7.07
Rot. Bonds10

About ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate

ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate (PubChem CID 66665662) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate.

Molecular Properties

Compound Nameethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate
PubChem CID66665662
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Nameethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate
SMILESCCOC(=O)CCCCCCN1c2nc(-c3ccccc3)c(-c3ccccc3)cc2CCC1C
InChIInChI=1S/C30H36N2O2/c1-3-34-28(33)18-12-4-5-13-21-32-23(2)19-20-26-22-27(24-14-8-6-9-15-24)29(31-30(26)32)25-16-10-7-11-17-25/h6-11,14-17,22-23H,3-5,12-13,18-21H2,1-2H3
InChIKeyHNUAKWRQNAOCFZ-UHFFFAOYSA-N
XLogP7.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate?
The IUPAC name of ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate (CID 66665662) is ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate.
What is the SMILES notation for ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate?
The canonical SMILES for ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate is CCOC(=O)CCCCCCN1c2nc(-c3ccccc3)c(-c3ccccc3)cc2CCC1C.
What is the InChIKey of ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate?
The InChIKey is HNUAKWRQNAOCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-3-34-28(33)18-12-4-5-13-21-32-23(2)19-20-26-22-27(24-14-8-6-9-15-24)29(31-30(26)32)25-16-10-7-11-17-25/h6-11,14-17,22-23H,3-5,12-13,18-21H2,1-2H3.
What are the key properties of ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate?
ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate has a molecular weight of 456.63 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate is sourced from PubChem (CID 66665662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).