2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile

C18H15N3O — CID 865685

IUPAC2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3cc(C)ccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3O/c1-12-3-4-13-10-14(11-19)18(21-17(13)9-12)20-15-5-7-16(22-2)8-6-15/h3-10H,1-2H3,(H,20,21)
InChIKeyGJZVMGGKRBPZKA-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile

2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile (PubChem CID 865685) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile
PubChem CID865685
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3cc(C)ccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3O/c1-12-3-4-13-10-14(11-19)18(21-17(13)9-12)20-15-5-7-16(22-2)8-6-15/h3-10H,1-2H3,(H,20,21)
InChIKeyGJZVMGGKRBPZKA-UHFFFAOYSA-N
XLogP4.17
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
7-[[3-[2-(Dimethylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971381
7-[[3-[2-(Methylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971382
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971384
7-[[3-(Aminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971385
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[2-(Methylamino)ethyl]benzonitrile
CID 124136845
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(Methylamino)methyl]benzonitrile
CID 124136858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile (CID 865685) is 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile is COc1ccc(Nc2nc3cc(C)ccc3cc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile?
The InChIKey is GJZVMGGKRBPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-3-4-13-10-14(11-19)18(21-17(13)9-12)20-15-5-7-16(22-2)8-6-15/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile?
2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 865685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).