4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile

C20H19N3O — CID 167702626

IUPAC4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
SMILESCCc1ccc(CNc2c(C#N)cnc3c(OC)cccc23)cc1
InChIInChI=1S/C20H19N3O/c1-3-14-7-9-15(10-8-14)12-22-19-16(11-21)13-23-20-17(19)5-4-6-18(20)24-2/h4-10,13H,3,12H2,1-2H3,(H,22,23)
InChIKeyBLZFWDWYHAZRAJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.29
Rot. Bonds5

About 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile

4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile (PubChem CID 167702626) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
PubChem CID167702626
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
SMILESCCc1ccc(CNc2c(C#N)cnc3c(OC)cccc23)cc1
InChIInChI=1S/C20H19N3O/c1-3-14-7-9-15(10-8-14)12-22-19-16(11-21)13-23-20-17(19)5-4-6-18(20)24-2/h4-10,13H,3,12H2,1-2H3,(H,22,23)
InChIKeyBLZFWDWYHAZRAJ-UHFFFAOYSA-N
XLogP4.29
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
CID 62189546
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 133319468
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
5-chloro-8-fluoro-4-[(3-fluoro-4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 112840617
methyl N-[4-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 133317533

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile (CID 167702626) is 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile is CCc1ccc(CNc2c(C#N)cnc3c(OC)cccc23)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile?
The InChIKey is BLZFWDWYHAZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-14-7-9-15(10-8-14)12-22-19-16(11-21)13-23-20-17(19)5-4-6-18(20)24-2/h4-10,13H,3,12H2,1-2H3,(H,22,23).
What are the key properties of 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile?
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 167702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).