2-(diethylamino)-7-methoxyquinoline-3-carbonitrile

C15H17N3O — CID 3237518

IUPAC2-(diethylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCCN(CC)c1nc2cc(OC)ccc2cc1C#N
InChIInChI=1S/C15H17N3O/c1-4-18(5-2)15-12(10-16)8-11-6-7-13(19-3)9-14(11)17-15/h6-9H,4-5H2,1-3H3
InChIKeyMZVWXJBRVLHBPD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.96
Rot. Bonds4

About 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile

2-(diethylamino)-7-methoxyquinoline-3-carbonitrile (PubChem CID 3237518) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-7-methoxyquinoline-3-carbonitrile
PubChem CID3237518
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(diethylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCCN(CC)c1nc2cc(OC)ccc2cc1C#N
InChIInChI=1S/C15H17N3O/c1-4-18(5-2)15-12(10-16)8-11-6-7-13(19-3)9-14(11)17-15/h6-9H,4-5H2,1-3H3
InChIKeyMZVWXJBRVLHBPD-UHFFFAOYSA-N
XLogP2.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile (CID 3237518) is 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile is CCN(CC)c1nc2cc(OC)ccc2cc1C#N.
What is the InChIKey of 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile?
The InChIKey is MZVWXJBRVLHBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-18(5-2)15-12(10-16)8-11-6-7-13(19-3)9-14(11)17-15/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile?
2-(diethylamino)-7-methoxyquinoline-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 3237518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).