(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide

C17H20N4O4 — CID 94512675

IUPAC(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CC[C@@H](C(N)=O)C2)c1=O
InChIInChI=1S/C17H20N4O4/c1-2-20-16(24)12-5-3-4-6-13(12)21(17(20)25)10-14(22)19-8-7-11(9-19)15(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23)/t11-/m1/s1
InChIKeyMMFCXYRLAPNHBB-LLVKDONJSA-N
MW344.37 g/mol
LogP-0.48
Rot. Bonds4

About (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 94512675) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
PubChem CID94512675
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CC[C@@H](C(N)=O)C2)c1=O
InChIInChI=1S/C17H20N4O4/c1-2-20-16(24)12-5-3-4-6-13(12)21(17(20)25)10-14(22)19-8-7-11(9-19)15(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23)/t11-/m1/s1
InChIKeyMMFCXYRLAPNHBB-LLVKDONJSA-N
XLogP-0.48
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962711
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 26736777
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
1-[2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide
CID 4059284
ethyl 1-[2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetyl]piperidine-4-carboxylate
CID 51046827
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 94512675) is (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide is CCn1c(=O)c2ccccc2n(CC(=O)N2CC[C@@H](C(N)=O)C2)c1=O.
What is the InChIKey of (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is MMFCXYRLAPNHBB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-2-20-16(24)12-5-3-4-6-13(12)21(17(20)25)10-14(22)19-8-7-11(9-19)15(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).