N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide

C24H31N3O4 — CID 42717635

IUPACN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(C(=O)c1ccco1)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C24H31N3O4/c1-4-6-9-14-26(24(29)21-13-10-16-31-21)20(5-2)22-25-19-12-8-7-11-18(19)23(28)27(22)15-17-30-3/h7-8,10-13,16,20H,4-6,9,14-15,17H2,1-3H3
InChIKeyQTAXGNHEZKGKAN-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.42
Rot. Bonds11

About N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide (PubChem CID 42717635) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
PubChem CID42717635
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
SMILESCCCCCN(C(=O)c1ccco1)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C24H31N3O4/c1-4-6-9-14-26(24(29)21-13-10-16-31-21)20(5-2)22-25-19-12-8-7-11-18(19)23(28)27(22)15-17-30-3/h7-8,10-13,16,20H,4-6,9,14-15,17H2,1-3H3
InChIKeyQTAXGNHEZKGKAN-UHFFFAOYSA-N
XLogP4.42
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42713639
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
CID 5141627
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42717800
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 42712106
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-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42713661
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]butanamide
CID 42727625

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide (CID 42717635) is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide is CCCCCN(C(=O)c1ccco1)C(CC)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide?
The InChIKey is QTAXGNHEZKGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-6-9-14-26(24(29)21-13-10-16-31-21)20(5-2)22-25-19-12-8-7-11-18(19)23(28)27(22)15-17-30-3/h7-8,10-13,16,20H,4-6,9,14-15,17H2,1-3H3.
What are the key properties of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide?
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide is sourced from PubChem (CID 42717635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).