2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile

C16H15N3O — CID 165368502

IUPAC2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1O[C@@H]1C=CCCC1
InChIInChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1
InChIKeyQSUVASQKOYGTCC-LLVKDONJSA-N
MW265.32 g/mol
LogP3.18
Rot. Bonds2

About 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile

2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile (PubChem CID 165368502) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile
PubChem CID165368502
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2ccccc2c1O[C@@H]1C=CCCC1
InChIInChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1
InChIKeyQSUVASQKOYGTCC-LLVKDONJSA-N
XLogP3.18
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile (CID 165368502) is 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile is N#Cc1c(N)nc2ccccc2c1O[C@@H]1C=CCCC1.
What is the InChIKey of 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile?
The InChIKey is QSUVASQKOYGTCC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1.
What are the key properties of 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile?
2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1S)-cyclohex-2-en-1-yl]oxyquinoline-3-carbonitrile is sourced from PubChem (CID 165368502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).