2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile

C19H14Cl2N2O2 — CID 165085209

IUPAC2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
SMILESCOCc1c(C#N)c(-c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12
InChIInChI=1S/C19H14Cl2N2O2/c1-24-10-16-14-8-12(25-2)4-6-18(14)23-19(15(16)9-22)13-5-3-11(20)7-17(13)21/h3-8H,10H2,1-2H3
InChIKeyVUDGMICQROBERB-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.24
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile

2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile (PubChem CID 165085209) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
PubChem CID165085209
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
SMILESCOCc1c(C#N)c(-c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12
InChIInChI=1S/C19H14Cl2N2O2/c1-24-10-16-14-8-12(25-2)4-6-18(14)23-19(15(16)9-22)13-5-3-11(20)7-17(13)21/h3-8H,10H2,1-2H3
InChIKeyVUDGMICQROBERB-UHFFFAOYSA-N
XLogP5.24
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile
CID 141220018
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
4-chloro-6-methoxycinnoline-3-carbonitrile
CID 83889129
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile (CID 165085209) is 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile is COCc1c(C#N)c(-c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile?
The InChIKey is VUDGMICQROBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-24-10-16-14-8-12(25-2)4-6-18(14)23-19(15(16)9-22)13-5-3-11(20)7-17(13)21/h3-8H,10H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile?
2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile has a molecular weight of 373.24 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 165085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).