2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H23N3O3 — CID 5197805

IUPAC2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)c(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-11-5-7-15-13(9-11)17(14(10-21)20(22)23-15)12-6-8-16(24-2)19(26-4)18(12)25-3/h6,8,11H,5,7,9H2,1-4H3,(H2,22,23)
InChIKeyBGUBRTKYDMVVHN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.35
Rot. Bonds4

About 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 5197805) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID5197805
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)c(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-11-5-7-15-13(9-11)17(14(10-21)20(22)23-15)12-6-8-16(24-2)19(26-4)18(12)25-3/h6,8,11H,5,7,9H2,1-4H3,(H2,22,23)
InChIKeyBGUBRTKYDMVVHN-UHFFFAOYSA-N
XLogP3.35
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197809
2-[2-amino-3-cyano-4-(2,3-dimethoxy-5-methylphenyl)-5,6,7,8-tetrahydroquinolin-6-yl]acetic acid
CID 170511580
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
(6R)-2-amino-4-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95542957
2-chloro-4-(2-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102548952
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 5197805) is 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)c(OC)c1OC.
What is the InChIKey of 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BGUBRTKYDMVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-11-5-7-15-13(9-11)17(14(10-21)20(22)23-15)12-6-8-16(24-2)19(26-4)18(12)25-3/h6,8,11H,5,7,9H2,1-4H3,(H2,22,23).
What are the key properties of 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 353.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 5197805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).