N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide

C35H51N3O3 — CID 42657642

IUPACN-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C35H51N3O3/c1-5-7-9-11-12-13-14-15-16-26-33(39)37(27-21-10-8-6-2)28(3)34-36-30-23-18-17-22-29(30)35(40)38(34)31-24-19-20-25-32(31)41-4/h17-20,22-25,28H,5-16,21,26-27H2,1-4H3
InChIKeyOAHONWLSPXSFTE-UHFFFAOYSA-N
MW561.81 g/mol
LogP8.79
Rot. Bonds19

About N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide

N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide (PubChem CID 42657642) has the molecular formula C35H51N3O3 and a molecular weight of 561.81 g/mol. Its IUPAC name is N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide.

Molecular Properties

Compound NameN-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
PubChem CID42657642
Molecular FormulaC35H51N3O3
Molecular Weight561.81 g/mol
Exact Mass561.39
IUPAC NameN-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C35H51N3O3/c1-5-7-9-11-12-13-14-15-16-26-33(39)37(27-21-10-8-6-2)28(3)34-36-30-23-18-17-22-29(30)35(40)38(34)31-24-19-20-25-32(31)41-4/h17-20,22-25,28H,5-16,21,26-27H2,1-4H3
InChIKeyOAHONWLSPXSFTE-UHFFFAOYSA-N
XLogP8.79
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.81
LogP ≤ 58.79
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-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
N-hexyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42723674
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
CID 42722539

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide?
The IUPAC name of N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide (CID 42657642) is N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide.
What is the SMILES notation for N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide?
The canonical SMILES for N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide is CCCCCCCCCCCC(=O)N(CCCCCC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide?
The InChIKey is OAHONWLSPXSFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O3/c1-5-7-9-11-12-13-14-15-16-26-33(39)37(27-21-10-8-6-2)28(3)34-36-30-23-18-17-22-29(30)35(40)38(34)31-24-19-20-25-32(31)41-4/h17-20,22-25,28H,5-16,21,26-27H2,1-4H3.
What are the key properties of N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide?
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide has a molecular weight of 561.81 g/mol, XLogP of 8.79, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide is sourced from PubChem (CID 42657642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).