2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C22H27N3O — CID 3264424

IUPAC2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCOc1ccccc1-c1c(C#N)c(N)nc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C22H27N3O/c1-5-26-19-9-7-6-8-15(19)20-16-12-14(22(2,3)4)10-11-18(16)25-21(24)17(20)13-23/h6-9,14H,5,10-12H2,1-4H3,(H2,24,25)
InChIKeyDHZQYZQXICXNIV-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.75
Rot. Bonds3

About 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3264424) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3264424
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCOc1ccccc1-c1c(C#N)c(N)nc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C22H27N3O/c1-5-26-19-9-7-6-8-15(19)20-16-12-14(22(2,3)4)10-11-18(16)25-21(24)17(20)13-23/h6-9,14H,5,10-12H2,1-4H3,(H2,24,25)
InChIKeyDHZQYZQXICXNIV-UHFFFAOYSA-N
XLogP4.75
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277774
2-amino-6-tert-butyl-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272816
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197805
2-amino-6-phenyl-4-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3290835
(6S)-6-tert-butyl-2-chloro-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
CID 26434353
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197809
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-4-(2-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3293332

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3264424) is 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCOc1ccccc1-c1c(C#N)c(N)nc2c1CC(C(C)(C)C)CC2.
What is the InChIKey of 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is DHZQYZQXICXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-26-19-9-7-6-8-15(19)20-16-12-14(22(2,3)4)10-11-18(16)25-21(24)17(20)13-23/h6-9,14H,5,10-12H2,1-4H3,(H2,24,25).
What are the key properties of 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 349.48 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3264424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).