5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide

C25H28BrN3O3 — CID 50742795

IUPAC5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O)NC1CCCC1
InChIInChI=1S/C25H28BrN3O3/c26-19-14-12-18(13-15-19)17-29-22-10-4-3-9-21(22)24(31)28(25(29)32)16-6-5-11-23(30)27-20-7-1-2-8-20/h3-4,9-10,12-15,20H,1-2,5-8,11,16-17H2,(H,27,30)
InChIKeyCDXJWEIYIUJCES-UHFFFAOYSA-N
MW498.42 g/mol
LogP4.20
Rot. Bonds8

About 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide

5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide (PubChem CID 50742795) has the molecular formula C25H28BrN3O3 and a molecular weight of 498.42 g/mol. Its IUPAC name is 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide.

Molecular Properties

Compound Name5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
PubChem CID50742795
Molecular FormulaC25H28BrN3O3
Molecular Weight498.42 g/mol
Exact Mass497.13
IUPAC Name5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O)NC1CCCC1
InChIInChI=1S/C25H28BrN3O3/c26-19-14-12-18(13-15-19)17-29-22-10-4-3-9-21(22)24(31)28(25(29)32)16-6-5-11-23(30)27-20-7-1-2-8-20/h3-4,9-10,12-15,20H,1-2,5-8,11,16-17H2,(H,27,30)
InChIKeyCDXJWEIYIUJCES-UHFFFAOYSA-N
XLogP4.20
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
5-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclohexylpentanamide
CID 50742858
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
5-[1-[2-(4-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763150
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?
The IUPAC name of 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide (CID 50742795) is 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide.
What is the SMILES notation for 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?
The canonical SMILES for 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide is O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O)NC1CCCC1.
What is the InChIKey of 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?
The InChIKey is CDXJWEIYIUJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O3/c26-19-14-12-18(13-15-19)17-29-22-10-4-3-9-21(22)24(31)28(25(29)32)16-6-5-11-23(30)27-20-7-1-2-8-20/h3-4,9-10,12-15,20H,1-2,5-8,11,16-17H2,(H,27,30).
What are the key properties of 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?
5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide has a molecular weight of 498.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide is sourced from PubChem (CID 50742795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).