5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

C30H32ClN3O5 — CID 15989391

IUPAC5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1OC
InChIInChI=1S/C30H32ClN3O5/c1-38-26-15-12-21(19-27(26)39-2)16-17-32-28(35)9-5-6-18-33-29(36)24-7-3-4-8-25(24)34(30(33)37)20-22-10-13-23(31)14-11-22/h3-4,7-8,10-15,19H,5-6,9,16-18,20H2,1-2H3,(H,32,35)
InChIKeyQDDONLOFALQSST-UHFFFAOYSA-N
MW550.06 g/mol
LogP4.41
Rot. Bonds12

About 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide

5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide (PubChem CID 15989391) has the molecular formula C30H32ClN3O5 and a molecular weight of 550.06 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
PubChem CID15989391
Molecular FormulaC30H32ClN3O5
Molecular Weight550.06 g/mol
Exact Mass549.20
IUPAC Name5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1OC
InChIInChI=1S/C30H32ClN3O5/c1-38-26-15-12-21(19-27(26)39-2)16-17-32-28(35)9-5-6-18-33-29(36)24-7-3-4-8-25(24)34(30(33)37)20-22-10-13-23(31)14-11-22/h3-4,7-8,10-15,19H,5-6,9,16-18,20H2,1-2H3,(H,32,35)
InChIKeyQDDONLOFALQSST-UHFFFAOYSA-N
XLogP4.41
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.06
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide (CID 15989391) is 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide is COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1OC.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
The InChIKey is QDDONLOFALQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O5/c1-38-26-15-12-21(19-27(26)39-2)16-17-32-28(35)9-5-6-18-33-29(36)24-7-3-4-8-25(24)34(30(33)37)20-22-10-13-23(31)14-11-22/h3-4,7-8,10-15,19H,5-6,9,16-18,20H2,1-2H3,(H,32,35).
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide?
5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide has a molecular weight of 550.06 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 15989391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).