(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one

C25H25N3O2 — CID 9006737

IUPAC(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-25-22-8-4-5-9-23(22)26-24(28(25)18-19-6-2-1-3-7-19)20-10-12-21(13-11-20)27-14-16-30-17-15-27/h1-13,24,26H,14-18H2/t24-/m1/s1
InChIKeyCBFCZBDQAWCPNH-XMMPIXPASA-N
MW399.49 g/mol
LogP4.29
Rot. Bonds4

About (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9006737) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9006737
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-25-22-8-4-5-9-23(22)26-24(28(25)18-19-6-2-1-3-7-19)20-10-12-21(13-11-20)27-14-16-30-17-15-27/h1-13,24,26H,14-18H2/t24-/m1/s1
InChIKeyCBFCZBDQAWCPNH-XMMPIXPASA-N
XLogP4.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9006783
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006782
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7194317
3-(oxolan-2-ylmethyl)-2-(4-piperidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 24512406
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9006718
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-benzyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780093
3-benzyl-2-[4-(3-methylbutoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779649
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 9006737) is (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1.
What is the InChIKey of (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is CBFCZBDQAWCPNH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25-22-8-4-5-9-23(22)26-24(28(25)18-19-6-2-1-3-7-19)20-10-12-21(13-11-20)27-14-16-30-17-15-27/h1-13,24,26H,14-18H2/t24-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).