2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile

C19H17N3O2 — CID 865264

IUPAC2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)c(OC)c1
InChIInChI=1S/C19H17N3O2/c1-12-5-4-6-13-9-14(11-20)19(22-18(12)13)21-16-8-7-15(23-2)10-17(16)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyCWUZKAGVLYHFDY-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile

2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile (PubChem CID 865264) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile
PubChem CID865264
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)c(OC)c1
InChIInChI=1S/C19H17N3O2/c1-12-5-4-6-13-9-14(11-20)19(22-18(12)13)21-16-8-7-15(23-2)10-17(16)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyCWUZKAGVLYHFDY-UHFFFAOYSA-N
XLogP4.18
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile (CID 865264) is 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile is COc1ccc(Nc2nc3c(C)cccc3cc2C#N)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile?
The InChIKey is CWUZKAGVLYHFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-5-4-6-13-9-14(11-20)19(22-18(12)13)21-16-8-7-15(23-2)10-17(16)24-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile?
2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 865264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).