(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile

C21H19N3O — CID 14570317

IUPAC(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile
SMILESCOc1cc(C)c2ccc(C/C(C#N)=C/Nc3ccccc3)cc2n1
InChIInChI=1S/C21H19N3O/c1-15-10-21(25-2)24-20-12-16(8-9-19(15)20)11-17(13-22)14-23-18-6-4-3-5-7-18/h3-10,12,14,23H,11H2,1-2H3/b17-14-
InChIKeyHVWKBEGGDFJCSX-VKAVYKQESA-N
MW329.40 g/mol
LogP4.61
Rot. Bonds5

About (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile

(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile (PubChem CID 14570317) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile
PubChem CID14570317
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile
SMILESCOc1cc(C)c2ccc(C/C(C#N)=C/Nc3ccccc3)cc2n1
InChIInChI=1S/C21H19N3O/c1-15-10-21(25-2)24-20-12-16(8-9-19(15)20)11-17(13-22)14-23-18-6-4-3-5-7-18/h3-10,12,14,23H,11H2,1-2H3/b17-14-
InChIKeyHVWKBEGGDFJCSX-VKAVYKQESA-N
XLogP4.61
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
2-(4-Methoxyphenyl)quinoline
CID 1481967
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
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
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2r)-2-(Methylamino)propyl]benzonitrile
CID 124136872
3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2s)-2-(Methylamino)propyl]benzonitrile
CID 124136901

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile (CID 14570317) is (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile is COc1cc(C)c2ccc(C/C(C#N)=C/Nc3ccccc3)cc2n1.
What is the InChIKey of (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile?
The InChIKey is HVWKBEGGDFJCSX-VKAVYKQESA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-10-21(25-2)24-20-12-16(8-9-19(15)20)11-17(13-22)14-23-18-6-4-3-5-7-18/h3-10,12,14,23H,11H2,1-2H3/b17-14-.
What are the key properties of (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile?
(Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile has a molecular weight of 329.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-2-[(2-methoxy-4-methylquinolin-7-yl)methyl]prop-2-enenitrile is sourced from PubChem (CID 14570317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).