6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile

C16H17N3O — CID 865268

IUPAC6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile
SMILESCc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C16H17N3O/c1-11-7-12(2)15-13(8-11)9-14(10-17)16(18-15)19-3-5-20-6-4-19/h7-9H,3-6H2,1-2H3
InChIKeyFAPTXWPFKJZTQX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.56
Rot. Bonds1

About 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile

6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile (PubChem CID 865268) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile
PubChem CID865268
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile
SMILESCc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1
InChIInChI=1S/C16H17N3O/c1-11-7-12(2)15-13(8-11)9-14(10-17)16(18-15)19-3-5-20-6-4-19/h7-9H,3-6H2,1-2H3
InChIKeyFAPTXWPFKJZTQX-UHFFFAOYSA-N
XLogP2.56
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile (CID 865268) is 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile is Cc1cc(C)c2nc(N3CCOCC3)c(C#N)cc2c1.
What is the InChIKey of 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The InChIKey is FAPTXWPFKJZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-7-12(2)15-13(8-11)9-14(10-17)16(18-15)19-3-5-20-6-4-19/h7-9H,3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile?
6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-morpholin-4-ylquinoline-3-carbonitrile is sourced from PubChem (CID 865268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).