N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

C23H26N4O5 — CID 6621477

IUPACN-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESO=C(Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H26N4O5/c28-20(25-16-6-1-2-7-16)11-12-26-22(30)18-9-3-4-10-19(18)27(23(26)31)15-21(29)24-14-17-8-5-13-32-17/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2,(H,24,29)(H,25,28)
InChIKeyWORZAKROLBLWPW-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.52
Rot. Bonds8

About N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide

N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (PubChem CID 6621477) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
PubChem CID6621477
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESO=C(Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H26N4O5/c28-20(25-16-6-1-2-7-16)11-12-26-22(30)18-9-3-4-10-19(18)27(23(26)31)15-21(29)24-14-17-8-5-13-32-17/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2,(H,24,29)(H,25,28)
InChIKeyWORZAKROLBLWPW-UHFFFAOYSA-N
XLogP1.52
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247565
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22429989
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cyclopentyl-4-(2,4-dioxo-1-phenacylquinazolin-3-yl)butanamide
CID 6619275
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide (CID 6621477) is N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is O=C(Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The InChIKey is WORZAKROLBLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c28-20(25-16-6-1-2-7-16)11-12-26-22(30)18-9-3-4-10-19(18)27(23(26)31)15-21(29)24-14-17-8-5-13-32-17/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2,(H,24,29)(H,25,28).
What are the key properties of N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide?
N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide has a molecular weight of 438.48 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 6621477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).