3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione

C21H18N2O3 — CID 3239726

IUPAC3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21
InChIInChI=1S/C21H18N2O3/c1-15-7-2-3-8-16(15)13-22-19-11-5-4-10-18(19)20(24)23(21(22)25)14-17-9-6-12-26-17/h2-12H,13-14H2,1H3
InChIKeyFCMXVKIFNZKCNX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.16
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione

3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 3239726) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID3239726
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21
InChIInChI=1S/C21H18N2O3/c1-15-7-2-3-8-16(15)13-22-19-11-5-4-10-18(19)20(24)23(21(22)25)14-17-9-6-12-26-17/h2-12H,13-14H2,1H3
InChIKeyFCMXVKIFNZKCNX-UHFFFAOYSA-N
XLogP3.16
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione (CID 3239726) is 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione is Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is FCMXVKIFNZKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-7-2-3-8-16(15)13-22-19-11-5-4-10-18(19)20(24)23(21(22)25)14-17-9-6-12-26-17/h2-12H,13-14H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione?
3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 3239726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).