2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C22H26N4O4 — CID 41411599

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccco2)N2CCCC2)c1=O
InChIInChI=1S/C22H26N4O4/c1-2-25-21(28)16-8-3-4-9-17(16)26(22(25)29)15-20(27)23-14-18(19-10-7-13-30-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyOQVLPQCPRNPOBX-GOSISDBHSA-N
MW410.47 g/mol
LogP1.73
Rot. Bonds7

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 41411599) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID41411599
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccco2)N2CCCC2)c1=O
InChIInChI=1S/C22H26N4O4/c1-2-25-21(28)16-8-3-4-9-17(16)26(22(25)29)15-20(27)23-14-18(19-10-7-13-30-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyOQVLPQCPRNPOBX-GOSISDBHSA-N
XLogP1.73
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 25350697
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 30591769
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 47004561
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46603243
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9459935
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 41411599) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccco2)N2CCCC2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is OQVLPQCPRNPOBX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-2-25-21(28)16-8-3-4-9-17(16)26(22(25)29)15-20(27)23-14-18(19-10-7-13-30-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 41411599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).