methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate

C15H13N3O3 — CID 165373803

IUPACmethyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate
SMILESCOC(=O)N1CC2(C1)C(=O)Nc1cnc3ccccc3c12
InChIInChI=1S/C15H13N3O3/c1-21-14(20)18-7-15(8-18)12-9-4-2-3-5-10(9)16-6-11(12)17-13(15)19/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyNMYHPZIPVOTOBX-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.51
Rot. Bonds

About methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate

methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate (PubChem CID 165373803) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate
PubChem CID165373803
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate
SMILESCOC(=O)N1CC2(C1)C(=O)Nc1cnc3ccccc3c12
InChIInChI=1S/C15H13N3O3/c1-21-14(20)18-7-15(8-18)12-9-4-2-3-5-10(9)16-6-11(12)17-13(15)19/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyNMYHPZIPVOTOBX-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 8-bromo-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate;1-O-tert-butyl 3-O-methyl 3-(6-bromo-3-nitroquinolin-4-yl)azetidine-1,3-dicarboxylate;iron
CID 167665482
tert-butyl 8'-bromo-7'-fluoro-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-1-carboxylate;tert-butyl 8-bromo-7-fluoro-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate
CID 164973676
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
8-bromospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclopentane]-2-one
CID 146211554
spiro[1,4-dihydropyrazino[2,3-c]quinoline-2,1'-cyclopentane]-3-one
CID 103964955
2-ethyl-2-methyl-1,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964979
tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 172701565
1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862940
8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one
CID 146482026
8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146212075
methyl 1,5-dioxo-3-[[(1S)-1-phenylethyl]amino]-2,9-diazaspiro[5.5]undec-3-ene-9-carboxylate
CID 171719421
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate?
The IUPAC name of methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate (CID 165373803) is methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate?
The canonical SMILES for methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate is COC(=O)N1CC2(C1)C(=O)Nc1cnc3ccccc3c12.
What is the InChIKey of methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate?
The InChIKey is NMYHPZIPVOTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-14(20)18-7-15(8-18)12-9-4-2-3-5-10(9)16-6-11(12)17-13(15)19/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate?
methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 165373803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).