(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one

C14H14N2O2 — CID 51466277

IUPAC(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1
InChIInChI=1S/C14H14N2O2/c1-9-7-8-12(18-9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3/t13-/m1/s1
InChIKeyGUCHGQFKDCDHRE-CYBMUJFWSA-N
MW242.28 g/mol
LogP2.78
Rot. Bonds1

About (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 51466277) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID51466277
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1
InChIInChI=1S/C14H14N2O2/c1-9-7-8-12(18-9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3/t13-/m1/s1
InChIKeyGUCHGQFKDCDHRE-CYBMUJFWSA-N
XLogP2.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5-methylfuran-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006914
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035
2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
3-methyl-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 75264030
3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 47117586
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 51114892
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
(2S)-2-(4-hydroxy-3-nitrophenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 26490904
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 25340350
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997735

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one (CID 51466277) is (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one is Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)o1.
What is the InChIKey of (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GUCHGQFKDCDHRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-8-12(18-9)13-15-11-6-4-3-5-10(11)14(17)16(13)2/h3-8,13,15H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51466277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).