7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile

C19H17N3O2 — CID 50768609

IUPAC7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
SMILESCOc1ccc2c(Nc3cc(C)ccc3OC)c(C#N)cnc2c1
InChIInChI=1S/C19H17N3O2/c1-12-4-7-18(24-3)17(8-12)22-19-13(10-20)11-21-16-9-14(23-2)5-6-15(16)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyVRRWDWLPQPJKCW-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.18
Rot. Bonds4

About 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile

7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile (PubChem CID 50768609) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
PubChem CID50768609
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
SMILESCOc1ccc2c(Nc3cc(C)ccc3OC)c(C#N)cnc2c1
InChIInChI=1S/C19H17N3O2/c1-12-4-7-18(24-3)17(8-12)22-19-13(10-20)11-21-16-9-14(23-2)5-6-15(16)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyVRRWDWLPQPJKCW-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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Related Compounds

4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
6-methyl-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 45283848
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 23498091
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile (CID 50768609) is 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile is COc1ccc2c(Nc3cc(C)ccc3OC)c(C#N)cnc2c1.
What is the InChIKey of 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile?
The InChIKey is VRRWDWLPQPJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-4-7-18(24-3)17(8-12)22-19-13(10-20)11-21-16-9-14(23-2)5-6-15(16)19/h4-9,11H,1-3H3,(H,21,22).
What are the key properties of 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile?
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-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 7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).