1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile

C15H17N3O — CID 71568691

IUPAC1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
SMILESCN(C)CCCn1c(=O)c(C#N)cc2ccccc21
InChIInChI=1S/C15H17N3O/c1-17(2)8-5-9-18-14-7-4-3-6-12(14)10-13(11-16)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyVMCSKXCNFOKBCL-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.82
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile

1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile (PubChem CID 71568691) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
PubChem CID71568691
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
SMILESCN(C)CCCn1c(=O)c(C#N)cc2ccccc21
InChIInChI=1S/C15H17N3O/c1-17(2)8-5-9-18-14-7-4-3-6-12(14)10-13(11-16)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyVMCSKXCNFOKBCL-UHFFFAOYSA-N
XLogP1.82
TPSA49.03 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile (CID 71568691) is 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile is CN(C)CCCn1c(=O)c(C#N)cc2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is VMCSKXCNFOKBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17(2)8-5-9-18-14-7-4-3-6-12(14)10-13(11-16)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile?
1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 71568691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).