[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium

C20H23ClN3O+ — CID 6961786

IUPAC[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O/c1-13(2)12-22-14(3)19-23-17-10-6-4-8-15(17)20(25)24(19)18-11-7-5-9-16(18)21/h4-11,13-14,22H,12H2,1-3H3/p+1/t14-/m1/s1
InChIKeyUDVWGSYJSRMGLG-CQSZACIVSA-O
MW356.88 g/mol
LogP3.32
Rot. Bonds5

About [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium

[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium (PubChem CID 6961786) has the molecular formula C20H23ClN3O+ and a molecular weight of 356.88 g/mol. Its IUPAC name is [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium.

Molecular Properties

Compound Name[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
PubChem CID6961786
Molecular FormulaC20H23ClN3O+
Molecular Weight356.88 g/mol
Exact Mass356.15
IUPAC Name[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O/c1-13(2)12-22-14(3)19-23-17-10-6-4-8-15(17)20(25)24(19)18-11-7-5-9-16(18)21/h4-11,13-14,22H,12H2,1-3H3/p+1/t14-/m1/s1
InChIKeyUDVWGSYJSRMGLG-CQSZACIVSA-O
XLogP3.32
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one
CID 177485515
[(1S)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium
CID 7400132
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42719639
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916
[(1R)-1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium
CID 7201809
benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
CID 7326981
dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
CID 7440089
[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium
CID 7201794
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
CID 802442

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium?
The IUPAC name of [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium (CID 6961786) is [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium.
What is the SMILES notation for [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium?
The canonical SMILES for [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium is CC(C)C[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl.
What is the InChIKey of [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium?
The InChIKey is UDVWGSYJSRMGLG-CQSZACIVSA-O. The full InChI is InChI=1S/C20H22ClN3O/c1-13(2)12-22-14(3)19-23-17-10-6-4-8-15(17)20(25)24(19)18-11-7-5-9-16(18)21/h4-11,13-14,22H,12H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium?
[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium has a molecular weight of 356.88 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium is sourced from PubChem (CID 6961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).