4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile

C15H16N4O — CID 64898322

IUPAC4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCCOC1
InChIInChI=1S/C15H16N4O/c16-8-14-15(17-9-11-4-3-7-20-10-11)12-5-1-2-6-13(12)18-19-14/h1-2,5-6,11H,3-4,7,9-10H2,(H,17,18)
InChIKeyMGBVCBGVZKVSIM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.34
Rot. Bonds3

About 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile

4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile (PubChem CID 64898322) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
PubChem CID64898322
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCCOC1
InChIInChI=1S/C15H16N4O/c16-8-14-15(17-9-11-4-3-7-20-10-11)12-5-1-2-6-13(12)18-19-14/h1-2,5-6,11H,3-4,7,9-10H2,(H,17,18)
InChIKeyMGBVCBGVZKVSIM-UHFFFAOYSA-N
XLogP2.34
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
CID 103269781
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
CID 103963155
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
N-(oxan-3-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 103204139
4-(1,4-dithian-2-ylmethylamino)cinnoline-3-carbonitrile
CID 115685301
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
CID 115301445
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)cinnoline-3-carbonitrile
CID 91643501
4-(morpholin-4-ylamino)cinnoline-3-carbonitrile
CID 83025777
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
3,5-difluoro-4-(oxan-3-ylmethylamino)benzonitrile
CID 78988384
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile (CID 64898322) is 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCC1CCCOC1.
What is the InChIKey of 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile?
The InChIKey is MGBVCBGVZKVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-14-15(17-9-11-4-3-7-20-10-11)12-5-1-2-6-13(12)18-19-14/h1-2,5-6,11H,3-4,7,9-10H2,(H,17,18).
What are the key properties of 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile?
4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 64898322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).