(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one

C23H31N4O2+ — CID 7195061

IUPAC(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
SMILESCN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H30N4O2/c1-25(2)19-10-8-18(9-11-19)22-24-21-7-4-3-6-20(21)23(28)27(22)13-5-12-26-14-16-29-17-15-26/h3-4,6-11,22,24H,5,12-17H2,1-2H3/p+1/t22-/m0/s1
InChIKeyWKGXEPYBZJOOJN-QFIPXVFZSA-O
MW395.53 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one

(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 7195061) has the molecular formula C23H31N4O2+ and a molecular weight of 395.53 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
PubChem CID7195061
Molecular FormulaC23H31N4O2+
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
SMILESCN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H30N4O2/c1-25(2)19-10-8-18(9-11-19)22-24-21-7-4-3-6-20(21)23(28)27(22)13-5-12-26-14-16-29-17-15-26/h3-4,6-11,22,24H,5,12-17H2,1-2H3/p+1/t22-/m0/s1
InChIKeyWKGXEPYBZJOOJN-QFIPXVFZSA-O
XLogP1.62
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7194317
(2R)-3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
CID 6959633
(E)-(4-chlorophenyl)-[2-[4-(dimethylamino)phenyl]-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
CID 6153312
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
(2S)-3-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
CID 9007625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one (CID 7195061) is (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one is CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WKGXEPYBZJOOJN-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H30N4O2/c1-25(2)19-10-8-18(9-11-19)22-24-21-7-4-3-6-20(21)23(28)27(22)13-5-12-26-14-16-29-17-15-26/h3-4,6-11,22,24H,5,12-17H2,1-2H3/p+1/t22-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 395.53 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7195061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).