ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate

C19H18N2O3 — CID 700745

IUPACethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(O)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)16-11-20-17-12(2)6-4-9-15(17)18(16)21-13-7-5-8-14(22)10-13/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyVSGPUMHBRRXHPH-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.17
Rot. Bonds4

About ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate

ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate (PubChem CID 700745) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
PubChem CID700745
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(O)c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)16-11-20-17-12(2)6-4-9-15(17)18(16)21-13-7-5-8-14(22)10-13/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyVSGPUMHBRRXHPH-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylquinoline-3-carboxylate
CID 1187551
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
3-[(3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 2791594
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
3-[(3-ethoxycarbonylbenzo[h]quinolin-4-yl)amino]benzoate
CID 3413955
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate (CID 700745) is ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(O)c1.
What is the InChIKey of ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate?
The InChIKey is VSGPUMHBRRXHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)16-11-20-17-12(2)6-4-9-15(17)18(16)21-13-7-5-8-14(22)10-13/h4-11,22H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate?
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 700745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).