4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile

C20H19N3O3 — CID 22646538

IUPAC4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
SMILESCOCCOc1cc2nccc(Nc3ccc(C)c(O)c3)c2cc1C#N
InChIInChI=1S/C20H19N3O3/c1-13-3-4-15(10-19(13)24)23-17-5-6-22-18-11-20(26-8-7-25-2)14(12-21)9-16(17)18/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,23)
InChIKeyILFLCJAURKJLJR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.89
Rot. Bonds6

About 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile

4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile (PubChem CID 22646538) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
PubChem CID22646538
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
SMILESCOCCOc1cc2nccc(Nc3ccc(C)c(O)c3)c2cc1C#N
InChIInChI=1S/C20H19N3O3/c1-13-3-4-15(10-19(13)24)23-17-5-6-22-18-11-20(26-8-7-25-2)14(12-21)9-16(17)18/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,23)
InChIKeyILFLCJAURKJLJR-UHFFFAOYSA-N
XLogP3.89
TPSA87.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
CID 22646515
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile
CID 10294947
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
6,7-bis(2-methoxyethoxy)-N-prop-1-ynylquinolin-4-amine
CID 176902047
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-N-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329948
6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 70661673

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile?
The IUPAC name of 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile (CID 22646538) is 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile.
What is the SMILES notation for 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile?
The canonical SMILES for 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile is COCCOc1cc2nccc(Nc3ccc(C)c(O)c3)c2cc1C#N.
What is the InChIKey of 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile?
The InChIKey is ILFLCJAURKJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-3-4-15(10-19(13)24)23-17-5-6-22-18-11-20(26-8-7-25-2)14(12-21)9-16(17)18/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile?
4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile is sourced from PubChem (CID 22646538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).