[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium

C19H21ClN3O2+ — CID 7201794

IUPAC[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-13(21-10-11-25-2)18-22-17-9-4-3-8-16(17)19(24)23(18)15-7-5-6-14(20)12-15/h3-9,12-13,21H,10-11H2,1-2H3/p+1/t13-/m0/s1
InChIKeyQBIDKITYLZXNMA-ZDUSSCGKSA-O
MW358.85 g/mol
LogP2.31
Rot. Bonds6

About [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium

[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium (PubChem CID 7201794) has the molecular formula C19H21ClN3O2+ and a molecular weight of 358.85 g/mol. Its IUPAC name is [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
PubChem CID7201794
Molecular FormulaC19H21ClN3O2+
Molecular Weight358.85 g/mol
Exact Mass358.13
IUPAC Name[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-13(21-10-11-25-2)18-22-17-9-4-3-8-16(17)19(24)23(18)15-7-5-6-14(20)12-15/h3-9,12-13,21H,10-11H2,1-2H3/p+1/t13-/m0/s1
InChIKeyQBIDKITYLZXNMA-ZDUSSCGKSA-O
XLogP2.31
TPSA60.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium with MolForge

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Related Compounds

[(1S)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7202114
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
[(1R)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-(2-methoxyethyl)azanium
CID 7202025
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
CID 7144752
3-(3-chloro-4-fluorophenyl)-2-[(1S)-1-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 7202003
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
3-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 3447116
4-chloro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719137

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium?
The IUPAC name of [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium (CID 7201794) is [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium.
What is the SMILES notation for [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium?
The canonical SMILES for [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium is COCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium?
The InChIKey is QBIDKITYLZXNMA-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(21-10-11-25-2)18-22-17-9-4-3-8-16(17)19(24)23(18)15-7-5-6-14(20)12-15/h3-9,12-13,21H,10-11H2,1-2H3/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium?
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium has a molecular weight of 358.85 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium is sourced from PubChem (CID 7201794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).