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

C19H21N3O2 — CID 7114169

IUPAC(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CCC[C@H]3C)cc1OC
InChIInChI=1S/C19H21N3O2/c1-11-5-4-6-13-17(14(10-20)19(21)22-18(11)13)12-7-8-15(23-2)16(9-12)24-3/h7-9,11H,4-6H2,1-3H3,(H2,21,22)/t11-/m1/s1
InChIKeyUCYKJRVAODCNIR-LLVKDONJSA-N
MW323.40 g/mol
LogP3.66
Rot. Bonds3

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

(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 7114169) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID7114169
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CCC[C@H]3C)cc1OC
InChIInChI=1S/C19H21N3O2/c1-11-5-4-6-13-17(14(10-20)19(21)22-18(11)13)12-7-8-15(23-2)16(9-12)24-3/h7-9,11H,4-6H2,1-3H3,(H2,21,22)/t11-/m1/s1
InChIKeyUCYKJRVAODCNIR-LLVKDONJSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 7114169) is (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2CCC[C@H]3C)cc1OC.
What is the InChIKey of (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is UCYKJRVAODCNIR-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-5-4-6-13-17(14(10-20)19(21)22-18(11)13)12-7-8-15(23-2)16(9-12)24-3/h7-9,11H,4-6H2,1-3H3,(H2,21,22)/t11-/m1/s1.
What are the key properties of (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 7114169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).