ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate

C18H19N3O2 — CID 175788688

IUPACethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCCc1ccc2cccnc2n1
InChIInChI=1S/C18H19N3O2/c1-2-23-18(22)16-8-5-13-21(16)12-4-7-15-10-9-14-6-3-11-19-17(14)20-15/h3,5-6,8-11,13H,2,4,7,12H2,1H3
InChIKeyVEWUHOLCDJZEQD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.24
Rot. Bonds6

About ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate

ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate (PubChem CID 175788688) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
PubChem CID175788688
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CCCc1ccc2cccnc2n1
InChIInChI=1S/C18H19N3O2/c1-2-23-18(22)16-8-5-13-21(16)12-4-7-15-10-9-14-6-3-11-19-17(14)20-15/h3,5-6,8-11,13H,2,4,7,12H2,1H3
InChIKeyVEWUHOLCDJZEQD-UHFFFAOYSA-N
XLogP3.24
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
Methyl 3-(4-fluorophenyl)-1-methyl-5-morpholin-4-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419777
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792
Ethyl 2-acetamido-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
CID 150471302
Ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
CID 151934246
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2550328
Ethyl 13-anilino-3-benzyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxylate
CID 134141854
Ethyl 13-anilino-3-methyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxylate
CID 134144812
Ethyl 13-amino-3-methyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxylate
CID 134148063
Ethyl 13-amino-3-benzyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxylate
CID 134148180

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate (CID 175788688) is ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1CCCc1ccc2cccnc2n1.
What is the InChIKey of ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate?
The InChIKey is VEWUHOLCDJZEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-18(22)16-8-5-13-21(16)12-4-7-15-10-9-14-6-3-11-19-17(14)20-15/h3,5-6,8-11,13H,2,4,7,12H2,1H3.
What are the key properties of ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate?
ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate is sourced from PubChem (CID 175788688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).