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

C21H21Cl2N3O3 — CID 42712301

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C21H21Cl2N3O3/c1-4-26(19(27)12-29-16-8-5-14(22)6-9-16)13(2)20-24-18-11-15(23)7-10-17(18)21(28)25(20)3/h5-11,13H,4,12H2,1-3H3
InChIKeyMHEMFUGAMSKHAJ-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.23
Rot. Bonds6

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

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide (PubChem CID 42712301) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
PubChem CID42712301
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C21H21Cl2N3O3/c1-4-26(19(27)12-29-16-8-5-14(22)6-9-16)13(2)20-24-18-11-15(23)7-10-17(18)21(28)25(20)3/h5-11,13H,4,12H2,1-3H3
InChIKeyMHEMFUGAMSKHAJ-UHFFFAOYSA-N
XLogP4.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-1-ethylurea
CID 42713036
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
CID 3334969
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42712308
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)hexanamide
CID 42728261
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide (CID 42712301) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide is CCN(C(=O)COc1ccc(Cl)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide?
The InChIKey is MHEMFUGAMSKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-4-26(19(27)12-29-16-8-5-14(22)6-9-16)13(2)20-24-18-11-15(23)7-10-17(18)21(28)25(20)3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide has a molecular weight of 434.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 42712301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).