methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate

C18H19N3O5 — CID 168563000

IUPACmethyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3ccc(OC)nc23)C(=O)N(CCO)C1
InChIInChI=1S/C18H19N3O5/c1-25-14-7-6-11-4-3-5-13(15(11)20-14)19-16-12(18(24)26-2)10-21(8-9-22)17(16)23/h3-7,19,22H,8-10H2,1-2H3
InChIKeyRFTCNRJHQCZKQB-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.92
Rot. Bonds6

About methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168563000) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168563000
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namemethyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3ccc(OC)nc23)C(=O)N(CCO)C1
InChIInChI=1S/C18H19N3O5/c1-25-14-7-6-11-4-3-5-13(15(11)20-14)19-16-12(18(24)26-2)10-21(8-9-22)17(16)23/h3-7,19,22H,8-10H2,1-2H3
InChIKeyRFTCNRJHQCZKQB-UHFFFAOYSA-N
XLogP0.92
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(2-hydroxyethyl)-4-(3-methoxy-2-methylanilino)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563228
methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561593
methyl 1-(2-hydroxyethyl)-4-[(4-methylisoquinolin-5-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564267
2-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-6-methoxybenzoic acid
CID 168564956
methyl 1-(2-hydroxyethyl)-4-[(5-hydroxynaphthalen-1-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168562830
methyl 4-(2-ethylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564311
methyl 1-(2-hydroxyethyl)-4-[2-(2-methoxyethylamino)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168561581
methyl 4-(2-chloro-3-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564566
methyl 1-(2-hydroxyethyl)-5-oxo-4-[2-(propan-2-ylamino)anilino]-2H-pyrrole-3-carboxylate
CID 168561437
methyl 4-[2-(cyclopropylmethylamino)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563045
methyl 1-(2-hydroxyethyl)-4-[2-(4-methoxybenzoyl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168562665
methyl 1-(2-hydroxyethyl)-5-oxo-4-(2-prop-1-en-2-ylanilino)-2H-pyrrole-3-carboxylate
CID 168561270

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate (CID 168563000) is methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cccc3ccc(OC)nc23)C(=O)N(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is RFTCNRJHQCZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-14-7-6-11-4-3-5-13(15(11)20-14)19-16-12(18(24)26-2)10-21(8-9-22)17(16)23/h3-7,19,22H,8-10H2,1-2H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate?
methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168563000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).