N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide

C24H37N3O2 — CID 42711596

IUPACN-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H37N3O2/c1-5-7-9-11-17-22(28)27(18-14-10-8-6-2)19(3)23-25-21-16-13-12-15-20(21)24(29)26(23)4/h12-13,15-16,19H,5-11,14,17-18H2,1-4H3
InChIKeyJWSNLECQVJUKCG-UHFFFAOYSA-N
MW399.58 g/mol
LogP5.37
Rot. Bonds12

About N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide

N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide (PubChem CID 42711596) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide.

Molecular Properties

Compound NameN-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
PubChem CID42711596
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H37N3O2/c1-5-7-9-11-17-22(28)27(18-14-10-8-6-2)19(3)23-25-21-16-13-12-15-20(21)24(29)26(23)4/h12-13,15-16,19H,5-11,14,17-18H2,1-4H3
InChIKeyJWSNLECQVJUKCG-UHFFFAOYSA-N
XLogP5.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide?
The IUPAC name of N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide (CID 42711596) is N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide.
What is the SMILES notation for N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide?
The canonical SMILES for N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide is CCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide?
The InChIKey is JWSNLECQVJUKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-5-7-9-11-17-22(28)27(18-14-10-8-6-2)19(3)23-25-21-16-13-12-15-20(21)24(29)26(23)4/h12-13,15-16,19H,5-11,14,17-18H2,1-4H3.
What are the key properties of N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide?
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide has a molecular weight of 399.58 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide is sourced from PubChem (CID 42711596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).