5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

C27H27N3O6 — CID 27371263

IUPAC5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
SMILESCOc1ccc(C=O)cc1Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21
InChIInChI=1S/C27H27N3O6/c1-35-24-12-11-19(18-31)15-20(24)17-30-23-9-3-2-8-22(23)26(33)29(27(30)34)13-5-4-10-25(32)28-16-21-7-6-14-36-21/h2-3,6-9,11-12,14-15,18H,4-5,10,13,16-17H2,1H3,(H,28,32)
InChIKeyOTNYNXOJHCUAKY-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.11
Rot. Bonds11

About 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 27371263) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
PubChem CID27371263
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
SMILESCOc1ccc(C=O)cc1Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21
InChIInChI=1S/C27H27N3O6/c1-35-24-12-11-19(18-31)15-20(24)17-30-23-9-3-2-8-22(23)26(33)29(27(30)34)13-5-4-10-25(32)28-16-21-7-6-14-36-21/h2-3,6-9,11-12,14-15,18H,4-5,10,13,16-17H2,1H3,(H,28,32)
InChIKeyOTNYNXOJHCUAKY-UHFFFAOYSA-N
XLogP3.11
TPSA112.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2134888
5-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 22429577
N-[(4-fluorophenyl)methyl]-6-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 18559113
5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 3236263
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
5-[2,4-dioxo-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]quinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 94071172
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811
2-[4-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 27532411
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429620
4-[6-chloro-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 46247749
3-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 78260792

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (CID 27371263) is 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is COc1ccc(C=O)cc1Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21.
What is the InChIKey of 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is OTNYNXOJHCUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-35-24-12-11-19(18-31)15-20(24)17-30-23-9-3-2-8-22(23)26(33)29(27(30)34)13-5-4-10-25(32)28-16-21-7-6-14-36-21/h2-3,6-9,11-12,14-15,18H,4-5,10,13,16-17H2,1H3,(H,28,32).
What are the key properties of 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?
5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 489.53 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 27371263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).