[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium

C21H25ClN3O2+ — CID 7202025

IUPAC[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
SMILESCC[C@@H]([NH2+]CCOC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C21H24ClN3O2/c1-4-17(23-11-12-27-3)20-24-18-8-6-5-7-16(18)21(26)25(20)19-10-9-15(22)13-14(19)2/h5-10,13,17,23H,4,11-12H2,1-3H3/p+1/t17-/m1/s1
InChIKeyPCJPSCTXGOHLJQ-QGZVFWFLSA-O
MW386.90 g/mol
LogP3.01
Rot. Bonds7

About [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium

[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium (PubChem CID 7202025) has the molecular formula C21H25ClN3O2+ and a molecular weight of 386.90 g/mol. Its IUPAC name is [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
PubChem CID7202025
Molecular FormulaC21H25ClN3O2+
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
SMILESCC[C@@H]([NH2+]CCOC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C21H24ClN3O2/c1-4-17(23-11-12-27-3)20-24-18-8-6-5-7-16(18)21(26)25(20)19-10-9-15(22)13-14(19)2/h5-10,13,17,23H,4,11-12H2,1-3H3/p+1/t17-/m1/s1
InChIKeyPCJPSCTXGOHLJQ-QGZVFWFLSA-O
XLogP3.01
TPSA60.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium with MolForge

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Related Compounds

[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42716809
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720251
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
CID 42717446
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
3-(4-bromophenyl)-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 42720263
3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 4319626
4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4553731
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide
CID 42717743

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium?
The IUPAC name of [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium (CID 7202025) is [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium.
What is the SMILES notation for [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium?
The canonical SMILES for [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium is CC[C@@H]([NH2+]CCOC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C.
What is the InChIKey of [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium?
The InChIKey is PCJPSCTXGOHLJQ-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H24ClN3O2/c1-4-17(23-11-12-27-3)20-24-18-8-6-5-7-16(18)21(26)25(20)19-10-9-15(22)13-14(19)2/h5-10,13,17,23H,4,11-12H2,1-3H3/p+1/t17-/m1/s1.
What are the key properties of [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium?
[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium has a molecular weight of 386.90 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium is sourced from PubChem (CID 7202025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).