4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile

C19H16N4 — CID 75792227

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NC1CCCc2ccccc21
InChIInChI=1S/C19H16N4/c20-12-18-19(15-9-3-4-10-17(15)22-23-18)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,16H,5,7,11H2,(H,21,22)
InChIKeyWFZDVUPCMWZBAN-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.99
Rot. Bonds2

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile

4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile (PubChem CID 75792227) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
PubChem CID75792227
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NC1CCCc2ccccc21
InChIInChI=1S/C19H16N4/c20-12-18-19(15-9-3-4-10-17(15)22-23-18)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,16H,5,7,11H2,(H,21,22)
InChIKeyWFZDVUPCMWZBAN-UHFFFAOYSA-N
XLogP3.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
CID 114547691
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 114695438
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
4-[(2-propylcyclopropyl)amino]cinnoline-3-carbonitrile
CID 103710848
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile (CID 75792227) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NC1CCCc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile?
The InChIKey is WFZDVUPCMWZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c20-12-18-19(15-9-3-4-10-17(15)22-23-18)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-10,16H,5,7,11H2,(H,21,22).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile?
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 75792227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).