methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate

C20H19N3O5 — CID 70305093

IUPACmethyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ncccc1-c1nc2cccc(OC)c2c(=O)o1
InChIInChI=1S/C20H19N3O5/c1-26-15-9-3-7-13-16(15)20(25)28-18(22-13)12-6-4-10-21-17(12)23-11-5-8-14(23)19(24)27-2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3
InChIKeyAZVIMJZTLRNTLZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.40
Rot. Bonds4

About methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate

methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate (PubChem CID 70305093) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate
PubChem CID70305093
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namemethyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ncccc1-c1nc2cccc(OC)c2c(=O)o1
InChIInChI=1S/C20H19N3O5/c1-26-15-9-3-7-13-16(15)20(25)28-18(22-13)12-6-4-10-21-17(12)23-11-5-8-14(23)19(24)27-2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3
InChIKeyAZVIMJZTLRNTLZ-UHFFFAOYSA-N
XLogP2.40
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 45267519
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
2-[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one
CID 25000367
2-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-5-ethyl-3,1-benzoxazin-4-one
CID 59756081
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
CID 66284729
2-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-5-ethyl-7-methoxy-3,1-benzoxazin-4-one
CID 25205741
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
CID 168942176
5-cyclobutyl-2-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-7-methoxy-3,1-benzoxazin-4-one
CID 59756077

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate (CID 70305093) is methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1ncccc1-c1nc2cccc(OC)c2c(=O)o1.
What is the InChIKey of methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate?
The InChIKey is AZVIMJZTLRNTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-15-9-3-7-13-16(15)20(25)28-18(22-13)12-6-4-10-21-17(12)23-11-5-8-14(23)19(24)27-2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3.
What are the key properties of methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate?
methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 70305093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).