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

C20H18N2O2 — CID 2094035

IUPAC(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C20H18N2O2/c1-13-7-10-15(11-8-13)22-19(18-12-9-14(2)24-18)21-17-6-4-3-5-16(17)20(22)23/h3-12,19,21H,1-2H3/t19-/m1/s1
InChIKeyAQXVETHVDBTGHO-LJQANCHMSA-N
MW318.38 g/mol
LogP4.67
Rot. Bonds2

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

(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2094035) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2094035
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C20H18N2O2/c1-13-7-10-15(11-8-13)22-19(18-12-9-14(2)24-18)21-17-6-4-3-5-16(17)20(22)23/h3-12,19,21H,1-2H3/t19-/m1/s1
InChIKeyAQXVETHVDBTGHO-LJQANCHMSA-N
XLogP4.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.67
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
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
(2R)-2-(3,4-dihydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007397

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 2094035) is (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)o2)cc1.
What is the InChIKey of (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AQXVETHVDBTGHO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-7-10-15(11-8-13)22-19(18-12-9-14(2)24-18)21-17-6-4-3-5-16(17)20(22)23/h3-12,19,21H,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2094035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).