N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide

C20H20ClN3O2 — CID 53159171

IUPACN-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
SMILESCCn1c(CCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-2-24-18(23-17-10-6-4-8-15(17)20(24)26)11-12-19(25)22-13-14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyALMXSXXXCRPUOI-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide (PubChem CID 53159171) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
PubChem CID53159171
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide
SMILESCCn1c(CCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-2-24-18(23-17-10-6-4-8-15(17)20(24)26)11-12-19(25)22-13-14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyALMXSXXXCRPUOI-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-4-oxoquinazolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 53159170
N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808141
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030864
N-[(2-chlorophenyl)methyl]-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 20880855
N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7455992
3-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 53159187
N-[(2-chlorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
CID 4095118
N-[(2-chlorophenyl)methyl]-4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
CID 4259337
N-[(2-chlorophenyl)methyl]-3-[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 20881166
(2S)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide
CID 8734793
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 30697711

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide (CID 53159171) is N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide is CCn1c(CCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide?
The InChIKey is ALMXSXXXCRPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-24-18(23-17-10-6-4-8-15(17)20(24)26)11-12-19(25)22-13-14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(3-ethyl-4-oxoquinazolin-2-yl)propanamide is sourced from PubChem (CID 53159171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).