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

C19H21N3O2 — CID 655954

IUPAC2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3C)ccc1O
InChIInChI=1S/C19H21N3O2/c1-3-24-16-9-12(7-8-15(16)23)17-13-6-4-5-11(2)18(13)22-19(21)14(17)10-20/h7-9,11,23H,3-6H2,1-2H3,(H2,21,22)
InChIKeyBDCSBXZUWVUZCA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.75
Rot. Bonds3

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

2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 655954) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID655954
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3C)ccc1O
InChIInChI=1S/C19H21N3O2/c1-3-24-16-9-12(7-8-15(16)23)17-13-6-4-5-11(2)18(13)22-19(21)14(17)10-20/h7-9,11,23H,3-6H2,1-2H3,(H2,21,22)
InChIKeyBDCSBXZUWVUZCA-UHFFFAOYSA-N
XLogP3.75
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 655954) is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3C)ccc1O.
What is the InChIKey of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BDCSBXZUWVUZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-24-16-9-12(7-8-15(16)23)17-13-6-4-5-11(2)18(13)22-19(21)14(17)10-20/h7-9,11,23H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).