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

C25H24ClN3O3S — CID 27371273

IUPAC5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NCc1cccs1
InChIInChI=1S/C25H24ClN3O3S/c26-19-8-5-7-18(15-19)17-29-22-11-2-1-10-21(22)24(31)28(25(29)32)13-4-3-12-23(30)27-16-20-9-6-14-33-20/h1-2,5-11,14-15H,3-4,12-13,16-17H2,(H,27,30)
InChIKeyGPDYREASUCWPTF-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.41
Rot. Bonds9

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

5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 27371273) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID27371273
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC Name5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NCc1cccs1
InChIInChI=1S/C25H24ClN3O3S/c26-19-8-5-7-18(15-19)17-29-22-11-2-1-10-21(22)24(31)28(25(29)32)13-4-3-12-23(30)27-16-20-9-6-14-33-20/h1-2,5-11,14-15H,3-4,12-13,16-17H2,(H,27,30)
InChIKeyGPDYREASUCWPTF-UHFFFAOYSA-N
XLogP4.41
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide (CID 27371273) is 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide is O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NCc1cccs1.
What is the InChIKey of 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is GPDYREASUCWPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c26-19-8-5-7-18(15-19)17-29-22-11-2-1-10-21(22)24(31)28(25(29)32)13-4-3-12-23(30)27-16-20-9-6-14-33-20/h1-2,5-11,14-15H,3-4,12-13,16-17H2,(H,27,30).
What are the key properties of 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide?
5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 482.01 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 27371273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).