(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one

C21H25N3O2 — CID 7194317

IUPAC(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2/t20-/m1/s1
InChIKeyUNZPCPMABZGFOA-HXUWFJFHSA-N
MW351.45 g/mol
LogP2.98
Rot. Bonds5

About (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one

(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 7194317) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID7194317
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2/t20-/m1/s1
InChIKeyUNZPCPMABZGFOA-HXUWFJFHSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
CID 7195061
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 5447493
(5S)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 1277981
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 7777989
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
3-(oxolan-2-ylmethyl)-2-(4-piperidin-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 24512406
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 6226619
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one (CID 7194317) is (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccccc2)N1CCCN1CCOCC1.
What is the InChIKey of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is UNZPCPMABZGFOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10,20,22H,6,11-16H2/t20-/m1/s1.
What are the key properties of (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 351.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7194317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).