N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide

C30H41N3O3 — CID 5141628

IUPACN-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
SMILESCCCCCCCC(=O)N(CCCOC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C30H41N3O3/c1-5-7-8-9-10-16-28(34)32(21-13-22-36-4)27(6-2)29-31-26-15-12-11-14-25(26)30(35)33(29)24-19-17-23(3)18-20-24/h11-12,14-15,17-20,27H,5-10,13,16,21-22H2,1-4H3
InChIKeyGCZXNFXWQJNWQL-UHFFFAOYSA-N
MW491.68 g/mol
LogP6.37
Rot. Bonds14

About N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide

N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide (PubChem CID 5141628) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
PubChem CID5141628
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC NameN-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
SMILESCCCCCCCC(=O)N(CCCOC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C30H41N3O3/c1-5-7-8-9-10-16-28(34)32(21-13-22-36-4)27(6-2)29-31-26-15-12-11-14-25(26)30(35)33(29)24-19-17-23(3)18-20-24/h11-12,14-15,17-20,27H,5-10,13,16,21-22H2,1-4H3
InChIKeyGCZXNFXWQJNWQL-UHFFFAOYSA-N
XLogP6.37
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide with MolForge

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Related Compounds

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentyltetradecanamide
CID 42718891
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42728662
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide (CID 5141628) is N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide is CCCCCCCC(=O)N(CCCOC)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide?
The InChIKey is GCZXNFXWQJNWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c1-5-7-8-9-10-16-28(34)32(21-13-22-36-4)27(6-2)29-31-26-15-12-11-14-25(26)30(35)33(29)24-19-17-23(3)18-20-24/h11-12,14-15,17-20,27H,5-10,13,16,21-22H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide?
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide has a molecular weight of 491.68 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide is sourced from PubChem (CID 5141628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).