N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide

C22H33N3O2 — CID 42712059

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C22H33N3O2/c1-5-9-10-15-20(26)25(16-6-2)19(7-3)21-23-18-14-12-11-13-17(18)22(27)24(21)8-4/h11-14,19H,5-10,15-16H2,1-4H3
InChIKeyYKKWOGAPLWSMMV-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.69
Rot. Bonds10

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide (PubChem CID 42712059) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
PubChem CID42712059
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C22H33N3O2/c1-5-9-10-15-20(26)25(16-6-2)19(7-3)21-23-18-14-12-11-13-17(18)22(27)24(21)8-4/h11-14,19H,5-10,15-16H2,1-4H3
InChIKeyYKKWOGAPLWSMMV-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.69
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-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
CID 42712071
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide (CID 42712059) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide is CCCCCC(=O)N(CCC)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide?
The InChIKey is YKKWOGAPLWSMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-5-9-10-15-20(26)25(16-6-2)19(7-3)21-23-18-14-12-11-13-17(18)22(27)24(21)8-4/h11-14,19H,5-10,15-16H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide has a molecular weight of 371.53 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide is sourced from PubChem (CID 42712059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).