2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C21H17N3O — CID 856333

IUPAC2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C21H17N3O/c1-25-18-9-5-4-8-15(18)19-16-11-10-13-6-2-3-7-14(13)20(16)24-21(23)17(19)12-22/h2-9H,10-11H2,1H3,(H2,23,24)
InChIKeyYXWQAIXEVLWLDJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.98
Rot. Bonds2

About 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 856333) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID856333
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2
InChIInChI=1S/C21H17N3O/c1-25-18-9-5-4-8-15(18)19-16-11-10-13-6-2-3-7-14(13)20(16)24-21(23)17(19)12-22/h2-9H,10-11H2,1H3,(H2,23,24)
InChIKeyYXWQAIXEVLWLDJ-UHFFFAOYSA-N
XLogP3.98
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
11-(2,4-Dimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 9913068
3-(4-Methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
CID 24951690
3-(3-Methoxyphenyl)-6-methylisoquinolin-1-amine
CID 24952051
3-(3-Methoxyphenyl)-7-methylisoquinolin-1-amine
CID 24957047
2-amino-4-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 779677
2-Amino-6-(4-hydroxy-phenyl)-4-(2-methoxy-phenyl)-nicotinonitrile
CID 856314
2-Amino-6-cyclopropyl-4-(2-methoxyphenyl)nicotinonitrile
CID 781659
2-Amino-4-(1,3-benzodioxol-5-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 856307
2-amino-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
CID 1132555
6-(4-Methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine
CID 44531964
3-(2-Methoxyphenyl)-6-methylisoquinolin-1-amine;hydrochloride
CID 49865538

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 856333) is 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is COc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is YXWQAIXEVLWLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-18-9-5-4-8-15(18)19-16-11-10-13-6-2-3-7-14(13)20(16)24-21(23)17(19)12-22/h2-9H,10-11H2,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 856333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).