[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium

C19H21ClN3O+ — CID 7493092

IUPAC[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
SMILESCC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O/c1-4-21-13(3)18-22-17-11-14(20)7-10-16(17)19(24)23(18)15-8-5-12(2)6-9-15/h5-11,13,21H,4H2,1-3H3/p+1/t13-/m0/s1
InChIKeyZJJUMTFAXOWWGH-ZDUSSCGKSA-O
MW342.85 g/mol
LogP2.99
Rot. Bonds4

About [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium

[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium (PubChem CID 7493092) has the molecular formula C19H21ClN3O+ and a molecular weight of 342.85 g/mol. Its IUPAC name is [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium.

Molecular Properties

Compound Name[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
PubChem CID7493092
Molecular FormulaC19H21ClN3O+
Molecular Weight342.85 g/mol
Exact Mass342.14
IUPAC Name[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
SMILESCC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O/c1-4-21-13(3)18-22-17-11-14(20)7-10-16(17)19(24)23(18)15-8-5-12(2)6-9-15/h5-11,13,21H,4H2,1-3H3/p+1/t13-/m0/s1
InChIKeyZJJUMTFAXOWWGH-ZDUSSCGKSA-O
XLogP2.99
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium 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

7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
7-chloro-2-[(1S)-1-(3-methylbutylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 1055158
[(1S)-1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7202114
2-chloro-N-[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylacetamide
CID 1060367
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N,2-dimethylpropanamide
CID 42720050
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-propylbutanamide
CID 42720107
2-chloro-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)acetamide
CID 5108411
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-1-carboxamide
CID 42720060
1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 3536960
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenoxyacetamide
CID 42657601
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 175863163

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium?
The IUPAC name of [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium (CID 7493092) is [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium.
What is the SMILES notation for [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium?
The canonical SMILES for [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium is CC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium?
The InChIKey is ZJJUMTFAXOWWGH-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H20ClN3O/c1-4-21-13(3)18-22-17-11-14(20)7-10-16(17)19(24)23(18)15-8-5-12(2)6-9-15/h5-11,13,21H,4H2,1-3H3/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium?
[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium has a molecular weight of 342.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium is sourced from PubChem (CID 7493092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).