methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate

C19H18N2O3 — CID 45499064

IUPACmethyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
SMILESCCOc1ccccc1Nc1cc(C(=O)OC)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-24-18-11-7-6-10-15(18)21-16-12-17(19(22)23-2)20-14-9-5-4-8-13(14)16/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyMTHFDFDBMBFTAQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.16
Rot. Bonds5

About methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate

methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate (PubChem CID 45499064) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
PubChem CID45499064
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
SMILESCCOc1ccccc1Nc1cc(C(=O)OC)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c1-3-24-18-11-7-6-10-15(18)21-16-12-17(19(22)23-2)20-14-9-5-4-8-13(14)16/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyMTHFDFDBMBFTAQ-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
2-(2-ethoxyanilino)benzoic acid
CID 726510
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate (CID 45499064) is methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate is CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccccc12.
What is the InChIKey of methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate?
The InChIKey is MTHFDFDBMBFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-18-11-7-6-10-15(18)21-16-12-17(19(22)23-2)20-14-9-5-4-8-13(14)16/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate?
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate is sourced from PubChem (CID 45499064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).