cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate

C20H23N3O4 — CID 154847151

IUPACcis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C20H23N3O4/c1-2-27-20(26)15-8-7-14(15)18(24)22-10-9-13(11-22)23-12-21-17-6-4-3-5-16(17)19(23)25/h3-6,12-15H,2,7-11H2,1H3/t13?,14-,15+/m0/s1
InChIKeyVZYMECNCMOWTGV-NOYMGPGASA-N
MW369.42 g/mol
LogP1.76
Rot. Bonds4

About cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate

cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate (PubChem CID 154847151) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
PubChem CID154847151
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namecis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C20H23N3O4/c1-2-27-20(26)15-8-7-14(15)18(24)22-10-9-13(11-22)23-12-21-17-6-4-3-5-16(17)19(23)25/h3-6,12-15H,2,7-11H2,1H3/t13?,14-,15+/m0/s1
InChIKeyVZYMECNCMOWTGV-NOYMGPGASA-N
XLogP1.76
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate with MolForge

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Related Compounds

4-(4-Oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
CID 10539258
4-(7-Fluoro-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
CID 10731271
4-(6-Fluoro-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester
CID 10850191
Ethyl 1-[3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoyl]piperidine-4-carboxylate
CID 24793654
Methyl 4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoate
CID 16261422
Ethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 52562612
2-(1-(2-(4-oxoquinazolin-3(4H)-yl)acetyl)azetidin-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 86265400
N-(cyclobutylmethyl)-2-(4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 126789807
2-(4-oxoquinazolin-3(4H)-yl)ethyl isobutyrate
CID 30338200
methyl 4-[2-[(1S)-1-(2-methylpropylamino)ethyl]-4-oxoquinazolin-3-yl]butanoate
CID 808543
6-((4-Oxo-3-propyl-3,4-dihydroquinazolin-2-yl)oxy)hexanoic acid
CID 171716057
methyl (5R)-5-(4-oxoquinazolin-3-yl)hept-6-enoate
CID 176427477

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate (CID 154847151) is cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate is CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate?
The InChIKey is VZYMECNCMOWTGV-NOYMGPGASA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-20(26)15-8-7-14(15)18(24)22-10-9-13(11-22)23-12-21-17-6-4-3-5-16(17)19(23)25/h3-6,12-15H,2,7-11H2,1H3/t13?,14-,15+/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate?
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 154847151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).