3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one

C25H28N2O2 — CID 54778434

IUPAC3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C25H28N2O2/c1-3-5-10-17-29-22-16-15-18-11-6-7-12-19(18)23(22)24-26-21-14-9-8-13-20(21)25(28)27(24)4-2/h6-9,11-16,24,26H,3-5,10,17H2,1-2H3
InChIKeyOIBIDMLLHDSGHG-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.00
Rot. Bonds7

About 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one

3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778434) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
PubChem CID54778434
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CC
InChIInChI=1S/C25H28N2O2/c1-3-5-10-17-29-22-16-15-18-11-6-7-12-19(18)23(22)24-26-21-14-9-8-13-20(21)25(28)27(24)4-2/h6-9,11-16,24,26H,3-5,10,17H2,1-2H3
InChIKeyOIBIDMLLHDSGHG-UHFFFAOYSA-N
XLogP6.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (CID 54778434) is 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is CCCCCOc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CC.
What is the InChIKey of 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OIBIDMLLHDSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-5-10-17-29-22-16-15-18-11-6-7-12-19(18)23(22)24-26-21-14-9-8-13-20(21)25(28)27(24)4-2/h6-9,11-16,24,26H,3-5,10,17H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.51 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).