2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

C25H28N2O4 — CID 54778473

IUPAC2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1c(OCCOC)ccc2ccccc12
InChIInChI=1S/C25H28N2O4/c1-29-15-7-14-27-24(26-21-11-6-5-10-20(21)25(27)28)23-19-9-4-3-8-18(19)12-13-22(23)31-17-16-30-2/h3-6,8-13,24,26H,7,14-17H2,1-2H3
InChIKeyXRXCXJQVBLDGRI-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.47
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778473) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778473
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1c(OCCOC)ccc2ccccc12
InChIInChI=1S/C25H28N2O4/c1-29-15-7-14-27-24(26-21-11-6-5-10-20(21)25(27)28)23-19-9-4-3-8-18(19)12-13-22(23)31-17-16-30-2/h3-6,8-13,24,26H,7,14-17H2,1-2H3
InChIKeyXRXCXJQVBLDGRI-UHFFFAOYSA-N
XLogP4.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (CID 54778473) is 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1c1c(OCCOC)ccc2ccccc12.
What is the InChIKey of 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XRXCXJQVBLDGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-15-7-14-27-24(26-21-11-6-5-10-20(21)25(27)28)23-19-9-4-3-8-18(19)12-13-22(23)31-17-16-30-2/h3-6,8-13,24,26H,7,14-17H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 420.51 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).