8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile

C15H15N3O — CID 865258

IUPAC8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCOCC3)nc12
InChIInChI=1S/C15H15N3O/c1-11-3-2-4-12-9-13(10-16)15(17-14(11)12)18-5-7-19-8-6-18/h2-4,9H,5-8H2,1H3
InChIKeyQKWANVRYPUTULD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.25
Rot. Bonds1

About 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile

8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile (PubChem CID 865258) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile
PubChem CID865258
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile
SMILESCc1cccc2cc(C#N)c(N3CCOCC3)nc12
InChIInChI=1S/C15H15N3O/c1-11-3-2-4-12-9-13(10-16)15(17-14(11)12)18-5-7-19-8-6-18/h2-4,9H,5-8H2,1H3
InChIKeyQKWANVRYPUTULD-UHFFFAOYSA-N
XLogP2.25
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The IUPAC name of 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile (CID 865258) is 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile is Cc1cccc2cc(C#N)c(N3CCOCC3)nc12.
What is the InChIKey of 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile?
The InChIKey is QKWANVRYPUTULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-3-2-4-12-9-13(10-16)15(17-14(11)12)18-5-7-19-8-6-18/h2-4,9H,5-8H2,1H3.
What are the key properties of 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile?
8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-morpholin-4-ylquinoline-3-carbonitrile is sourced from PubChem (CID 865258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).