N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide

C35H51N3O2 — CID 42722894

IUPACN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCCCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C35H51N3O2/c1-5-9-11-13-14-15-16-22-33(39)37(27-19-12-10-6-2)32(8-4)34-36-31-21-18-17-20-30(31)35(40)38(34)29-25-23-28(7-3)24-26-29/h17-18,20-21,23-26,32H,5-16,19,22,27H2,1-4H3
InChIKeyLHGDBVZBVJHIGW-UHFFFAOYSA-N
MW545.81 g/mol
LogP8.95
Rot. Bonds18

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide (PubChem CID 42722894) has the molecular formula C35H51N3O2 and a molecular weight of 545.81 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
PubChem CID42722894
Molecular FormulaC35H51N3O2
Molecular Weight545.81 g/mol
Exact Mass545.40
IUPAC NameN-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
SMILESCCCCCCCCCC(=O)N(CCCCCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C35H51N3O2/c1-5-9-11-13-14-15-16-22-33(39)37(27-19-12-10-6-2)32(8-4)34-36-31-21-18-17-20-30(31)35(40)38(34)29-25-23-28(7-3)24-26-29/h17-18,20-21,23-26,32H,5-16,19,22,27H2,1-4H3
InChIKeyLHGDBVZBVJHIGW-UHFFFAOYSA-N
XLogP8.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.81
LogP ≤ 58.95
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-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42719576
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]octanamide
CID 42721895
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)nonanamide
CID 42718901
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide?
The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide (CID 42722894) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide.
What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide?
The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide is CCCCCCCCCC(=O)N(CCCCCC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide?
The InChIKey is LHGDBVZBVJHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O2/c1-5-9-11-13-14-15-16-22-33(39)37(27-19-12-10-6-2)32(8-4)34-36-31-21-18-17-20-30(31)35(40)38(34)29-25-23-28(7-3)24-26-29/h17-18,20-21,23-26,32H,5-16,19,22,27H2,1-4H3.
What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide?
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide has a molecular weight of 545.81 g/mol, XLogP of 8.95, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide is sourced from PubChem (CID 42722894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).