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

C20H29N3O2 — CID 42711556

IUPACN-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H29N3O2/c1-5-7-8-13-18(24)23(14-6-2)15(3)19-21-17-12-10-9-11-16(17)20(25)22(19)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyQEWXEQPHJVZPSY-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.81
Rot. Bonds8

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

N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide (PubChem CID 42711556) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide.

Molecular Properties

Compound NameN-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
PubChem CID42711556
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
SMILESCCCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C20H29N3O2/c1-5-7-8-13-18(24)23(14-6-2)15(3)19-21-17-12-10-9-11-16(17)20(25)22(19)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyQEWXEQPHJVZPSY-UHFFFAOYSA-N
XLogP3.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.81
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-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyldecanamide
CID 42717349
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide?
The IUPAC name of N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide (CID 42711556) is N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide.
What is the SMILES notation for N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide?
The canonical SMILES for N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide is CCCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide?
The InChIKey is QEWXEQPHJVZPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-7-8-13-18(24)23(14-6-2)15(3)19-21-17-12-10-9-11-16(17)20(25)22(19)4/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide?
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide has a molecular weight of 343.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide is sourced from PubChem (CID 42711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).