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

C23H35N3O3 — CID 42713390

IUPACN-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
SMILESCCCCCCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H35N3O3/c1-5-8-9-10-15-21(27)25(7-3)20(6-2)22-24-19-14-12-11-13-18(19)23(28)26(22)16-17-29-4/h11-14,20H,5-10,15-17H2,1-4H3
InChIKeyHBZMUNLMYMKVIF-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.31
Rot. Bonds12

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

N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide (PubChem CID 42713390) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
PubChem CID42713390
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
SMILESCCCCCCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H35N3O3/c1-5-8-9-10-15-21(27)25(7-3)20(6-2)22-24-19-14-12-11-13-18(19)23(28)26(22)16-17-29-4/h11-14,20H,5-10,15-17H2,1-4H3
InChIKeyHBZMUNLMYMKVIF-UHFFFAOYSA-N
XLogP4.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.31
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-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
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]pentanamide
CID 42713712
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide?
The IUPAC name of N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide (CID 42713390) is N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide.
What is the SMILES notation for N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide?
The canonical SMILES for N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide is CCCCCCC(=O)N(CC)C(CC)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide?
The InChIKey is HBZMUNLMYMKVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-5-8-9-10-15-21(27)25(7-3)20(6-2)22-24-19-14-12-11-13-18(19)23(28)26(22)16-17-29-4/h11-14,20H,5-10,15-17H2,1-4H3.
What are the key properties of N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide?
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide has a molecular weight of 401.55 g/mol, XLogP of 4.31, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide is sourced from PubChem (CID 42713390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).