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

C19H21N3O2 — CID 3116798

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)cc1OC
InChIInChI=1S/C19H21N3O2/c1-11-4-6-15-13(8-11)18(14(10-20)19(21)22-15)12-5-7-16(23-2)17(9-12)24-3/h5,7,9,11H,4,6,8H2,1-3H3,(H2,21,22)
InChIKeyMUVJRTBPSUJHRP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.34
Rot. Bonds3

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

2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3116798) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3116798
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)cc1OC
InChIInChI=1S/C19H21N3O2/c1-11-4-6-15-13(8-11)18(14(10-20)19(21)22-15)12-5-7-16(23-2)17(9-12)24-3/h5,7,9,11H,4,6,8H2,1-3H3,(H2,21,22)
InChIKeyMUVJRTBPSUJHRP-UHFFFAOYSA-N
XLogP3.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3116798) is 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2CC(C)CC3)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is MUVJRTBPSUJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-4-6-15-13(8-11)18(14(10-20)19(21)22-15)12-5-7-16(23-2)17(9-12)24-3/h5,7,9,11H,4,6,8H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).