3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C20H18N2O3 — CID 4681590

IUPAC3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-15-10-8-14(9-11-15)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-25-16/h2-12,19,21H,13H2,1H3
InChIKeyAYNNISGPRVOKQV-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.05
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 4681590) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID4681590
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-15-10-8-14(9-11-15)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-25-16/h2-12,19,21H,13H2,1H3
InChIKeyAYNNISGPRVOKQV-UHFFFAOYSA-N
XLogP4.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 4681590) is 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AYNNISGPRVOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-15-10-8-14(9-11-15)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-25-16/h2-12,19,21H,13H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 334.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4681590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).