2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide

C20H20ClN3O2 — CID 16723037

IUPAC2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-12(2)18-22-17-7-5-4-6-16(17)20(26)24(18)23-19(25)13(3)14-8-10-15(21)11-9-14/h4-13H,1-3H3,(H,23,25)
InChIKeyQTEPLGQIXQVCJD-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide

2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide (PubChem CID 16723037) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
PubChem CID16723037
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-12(2)18-22-17-7-5-4-6-16(17)20(26)24(18)23-19(25)13(3)14-8-10-15(21)11-9-14/h4-13H,1-3H3,(H,23,25)
InChIKeyQTEPLGQIXQVCJD-UHFFFAOYSA-N
XLogP4.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylsulfanylquinazolin-3-yl)butanamide
CID 16722887
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
CID 16723151
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 73317107
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
2-[[(1R,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylsulfanyl]-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide
CID 68751142
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
N-(4-chlorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23938230
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
3-(4-fluorobenzoyl)-2-propan-2-ylquinazolin-4-one
CID 1462732
N-[2-[1-(1-hydroxycyclopentyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
CID 10829136

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide (CID 16723037) is 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide is CC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide?
The InChIKey is QTEPLGQIXQVCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12(2)18-22-17-7-5-4-6-16(17)20(26)24(18)23-19(25)13(3)14-8-10-15(21)11-9-14/h4-13H,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide?
2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)propanamide is sourced from PubChem (CID 16723037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).