3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one

C22H22N2O3 — CID 54778743

IUPAC3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1c(OC)ccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-26-14-13-24-21(23-18-10-6-5-9-17(18)22(24)25)20-16-8-4-3-7-15(16)11-12-19(20)27-2/h3-12,21,23H,13-14H2,1-2H3
InChIKeyJVFKGIDBIDWZRP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.06
Rot. Bonds5

About 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one

3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778743) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
PubChem CID54778743
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1c(OC)ccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-26-14-13-24-21(23-18-10-6-5-9-17(18)22(24)25)20-16-8-4-3-7-15(16)11-12-19(20)27-2/h3-12,21,23H,13-14H2,1-2H3
InChIKeyJVFKGIDBIDWZRP-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one (CID 54778743) is 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1c(OC)ccc2ccccc12.
What is the InChIKey of 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JVFKGIDBIDWZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-14-13-24-21(23-18-10-6-5-9-17(18)22(24)25)20-16-8-4-3-7-15(16)11-12-19(20)27-2/h3-12,21,23H,13-14H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one?
3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).