N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide

C24H37ClN4O2 — CID 42714210

IUPACN-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
SMILESCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccc(Cl)cc2c(=O)n1CC
InChIInChI=1S/C24H37ClN4O2/c1-6-8-9-10-11-12-22(30)29(16-15-27(4)5)18(3)23-26-21-14-13-19(25)17-20(21)24(31)28(23)7-2/h13-14,17-18H,6-12,15-16H2,1-5H3
InChIKeyBZNCMCDRKTWSBI-UHFFFAOYSA-N
MW449.04 g/mol
LogP4.88
Rot. Bonds12

About N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide

N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide (PubChem CID 42714210) has the molecular formula C24H37ClN4O2 and a molecular weight of 449.04 g/mol. Its IUPAC name is N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
PubChem CID42714210
Molecular FormulaC24H37ClN4O2
Molecular Weight449.04 g/mol
Exact Mass448.26
IUPAC NameN-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
SMILESCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccc(Cl)cc2c(=O)n1CC
InChIInChI=1S/C24H37ClN4O2/c1-6-8-9-10-11-12-22(30)29(16-15-27(4)5)18(3)23-26-21-14-13-19(25)17-20(21)24(31)28(23)7-2/h13-14,17-18H,6-12,15-16H2,1-5H3
InChIKeyBZNCMCDRKTWSBI-UHFFFAOYSA-N
XLogP4.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.04
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
CID 42714590
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]octanamide;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]tridecanamide;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]octanamide;N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]tridecanamide
CID 162257423
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyldecanamide
CID 42717349
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide?
The IUPAC name of N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide (CID 42714210) is N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide.
What is the SMILES notation for N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide?
The canonical SMILES for N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide is CCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccc(Cl)cc2c(=O)n1CC.
What is the InChIKey of N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide?
The InChIKey is BZNCMCDRKTWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN4O2/c1-6-8-9-10-11-12-22(30)29(16-15-27(4)5)18(3)23-26-21-14-13-19(25)17-20(21)24(31)28(23)7-2/h13-14,17-18H,6-12,15-16H2,1-5H3.
What are the key properties of N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide?
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide has a molecular weight of 449.04 g/mol, XLogP of 4.88, 12 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-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide is sourced from PubChem (CID 42714210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).