4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile

C19H17N3O3 — CID 155563824

IUPAC4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile
SMILESCOc1cc(Nc2ccnc3cc(C#N)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)
InChIKeyBLWQIEISIMYCHD-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.88
Rot. Bonds5

About 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile

4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile (PubChem CID 155563824) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile
PubChem CID155563824
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile
SMILESCOc1cc(Nc2ccnc3cc(C#N)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22)
InChIKeyBLWQIEISIMYCHD-UHFFFAOYSA-N
XLogP3.88
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sgc-gak-1
CID 134812846
7-Methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330444
7-Methoxy-8-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330445
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838
4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328840
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile?
The IUPAC name of 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile (CID 155563824) is 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile.
What is the SMILES notation for 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile?
The canonical SMILES for 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile is COc1cc(Nc2ccnc3cc(C#N)ccc23)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile?
The InChIKey is BLWQIEISIMYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22).
What are the key properties of 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile?
4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile has a molecular weight of 335.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyanilino)quinoline-7-carbonitrile is sourced from PubChem (CID 155563824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).