N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C20H20ClN3O2 — CID 135417655

IUPACN-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCC(=O)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-2-19(25)24(12-11-14-7-9-15(21)10-8-14)13-18-22-17-6-4-3-5-16(17)20(26)23-18/h3-10H,2,11-13H2,1H3,(H,22,23,26)
InChIKeyPEFLONQODPSEHZ-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135417655) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135417655
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCCC(=O)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-2-19(25)24(12-11-14-7-9-15(21)10-8-14)13-18-22-17-6-4-3-5-16(17)20(26)23-18/h3-10H,2,11-13H2,1H3,(H,22,23,26)
InChIKeyPEFLONQODPSEHZ-UHFFFAOYSA-N
XLogP3.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 135417617
2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135429083
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-benzyl-2-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738118
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135429053
5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 135509247
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-naphthalen-2-yl-N-propylacetamide
CID 135962407
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135417655) is N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CCC(=O)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is PEFLONQODPSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-19(25)24(12-11-14-7-9-15(21)10-8-14)13-18-22-17-6-4-3-5-16(17)20(26)23-18/h3-10H,2,11-13H2,1H3,(H,22,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135417655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).