(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one

C25H25N3O2 — CID 25363719

IUPAC(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-18-6-10-21(11-7-18)28-24(26-23-5-3-2-4-22(23)25(28)29)19-8-12-20(13-9-19)27-14-16-30-17-15-27/h2-13,24,26H,14-17H2,1H3/t24-/m0/s1
InChIKeyNSMOXDZDDAVNEX-DEOSSOPVSA-N
MW399.49 g/mol
LogP4.60
Rot. Bonds3

About (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 25363719) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID25363719
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-18-6-10-21(11-7-18)28-24(26-23-5-3-2-4-22(23)25(28)29)19-8-12-20(13-9-19)27-14-16-30-17-15-27/h2-13,24,26H,14-17H2,1H3/t24-/m0/s1
InChIKeyNSMOXDZDDAVNEX-DEOSSOPVSA-N
XLogP4.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

(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
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064449
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
(2R)-2-(3,4-dihydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007397
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 25363719) is (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NSMOXDZDDAVNEX-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-6-10-21(11-7-18)28-24(26-23-5-3-2-4-22(23)25(28)29)19-8-12-20(13-9-19)27-14-16-30-17-15-27/h2-13,24,26H,14-17H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).