N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide

C18H24ClN3O3 — CID 42713965

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
SMILESCCCC(=O)N(CCOC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C18H24ClN3O3/c1-5-6-16(23)22(9-10-25-4)12(2)17-20-15-8-7-13(19)11-14(15)18(24)21(17)3/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyGONBHRKBSHBPJF-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.92
Rot. Bonds7

About N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide (PubChem CID 42713965) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
PubChem CID42713965
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
SMILESCCCC(=O)N(CCOC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C18H24ClN3O3/c1-5-6-16(23)22(9-10-25-4)12(2)17-20-15-8-7-13(19)11-14(15)18(24)21(17)3/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyGONBHRKBSHBPJF-UHFFFAOYSA-N
XLogP2.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
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-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide (CID 42713965) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide is CCCC(=O)N(CCOC)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide?
The InChIKey is GONBHRKBSHBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-5-6-16(23)22(9-10-25-4)12(2)17-20-15-8-7-13(19)11-14(15)18(24)21(17)3/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide has a molecular weight of 365.86 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 42713965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).