N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide

C19H18ClN3O3 — CID 1055781

IUPACN-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C19H18ClN3O3/c1-12(21-17(24)11-26-14-6-4-3-5-7-14)18-22-16-10-13(20)8-9-15(16)19(25)23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyVQONAACGRAIYMP-LBPRGKRZSA-N
MW371.82 g/mol
LogP2.84
Rot. Bonds5

About N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide

N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 1055781) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID1055781
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C19H18ClN3O3/c1-12(21-17(24)11-26-14-6-4-3-5-7-14)18-22-16-10-13(20)8-9-15(16)19(25)23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyVQONAACGRAIYMP-LBPRGKRZSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenoxyacetamide
CID 42657601

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide (CID 1055781) is N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is VQONAACGRAIYMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(21-17(24)11-26-14-6-4-3-5-7-14)18-22-16-10-13(20)8-9-15(16)19(25)23(18)2/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 371.82 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 1055781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).