methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

C25H24N6O5 — CID 168563223

IUPACmethyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCn1c(=O)c(-n2nc3ccccc3n2)cc2ccc(NC3=C(C(=O)OC)CN(CCO)C3=O)cc21
InChIInChI=1S/C25H24N6O5/c1-3-30-20-13-16(26-22-17(25(35)36-2)14-29(10-11-32)24(22)34)9-8-15(20)12-21(23(30)33)31-27-18-6-4-5-7-19(18)28-31/h4-9,12-13,26,32H,3,10-11,14H2,1-2H3
InChIKeyUEXCXKQOQGYHJO-UHFFFAOYSA-N
MW488.50 g/mol
LogP1.43
Rot. Bonds7

About methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168563223) has the molecular formula C25H24N6O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168563223
Molecular FormulaC25H24N6O5
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Namemethyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCn1c(=O)c(-n2nc3ccccc3n2)cc2ccc(NC3=C(C(=O)OC)CN(CCO)C3=O)cc21
InChIInChI=1S/C25H24N6O5/c1-3-30-20-13-16(26-22-17(25(35)36-2)14-29(10-11-32)24(22)34)9-8-15(20)12-21(23(30)33)31-27-18-6-4-5-7-19(18)28-31/h4-9,12-13,26,32H,3,10-11,14H2,1-2H3
InChIKeyUEXCXKQOQGYHJO-UHFFFAOYSA-N
XLogP1.43
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-(2-hydroxyethyl)-5-oxo-4-[(2-phenylbenzotriazol-5-yl)amino]-2H-pyrrole-3-carboxylate
CID 168561771
methyl 4-[[2-(4-ethylphenyl)benzotriazol-5-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563503
methyl 4-(acridin-9-ylamino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560986
methyl 4-(3,4-dimethoxyanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560924
methyl 4-[(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563041
2-(carboxymethyl)-5-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]benzoic acid
CID 168562371
methyl 1-(2-hydroxyethyl)-4-[4-(2-methylbenzimidazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168565064
4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-2-methoxybenzoic acid
CID 168565224
methyl 1-(2-hydroxyethyl)-4-[3-methoxy-4-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168563762
methyl 4-[4-(benzylamino)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168565802
methyl 1-(2-hydroxyethyl)-5-oxo-4-(4-tritylanilino)-2H-pyrrole-3-carboxylate
CID 168561735
methyl 4-(4-fluoro-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560909

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 168563223) is methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is CCn1c(=O)c(-n2nc3ccccc3n2)cc2ccc(NC3=C(C(=O)OC)CN(CCO)C3=O)cc21.
What is the InChIKey of methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is UEXCXKQOQGYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5/c1-3-30-20-13-16(26-22-17(25(35)36-2)14-29(10-11-32)24(22)34)9-8-15(20)12-21(23(30)33)31-27-18-6-4-5-7-19(18)28-31/h4-9,12-13,26,32H,3,10-11,14H2,1-2H3.
What are the key properties of methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 488.50 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(benzotriazol-2-yl)-1-ethyl-2-oxoquinolin-7-yl]amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168563223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).