6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C22H25N3O — CID 157348012

IUPAC6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCCC(=O)c1cc(C)c(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1
InChIInChI=1S/C22H25N3O/c1-5-22(26)20-9-15(4)19(13-24-20)18-10-16-7-6-8-25(14(2)3)21(16)11-17(18)12-23/h9-11,13-14H,5-8H2,1-4H3
InChIKeyNQXGCBZJTSTXJC-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.68
Rot. Bonds4

About 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 157348012) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID157348012
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCCC(=O)c1cc(C)c(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1
InChIInChI=1S/C22H25N3O/c1-5-22(26)20-9-15(4)19(13-24-20)18-10-16-7-6-8-25(14(2)3)21(16)11-17(18)12-23/h9-11,13-14H,5-8H2,1-4H3
InChIKeyNQXGCBZJTSTXJC-UHFFFAOYSA-N
XLogP4.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 157348012) is 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is CCC(=O)c1cc(C)c(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1.
What is the InChIKey of 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is NQXGCBZJTSTXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-5-22(26)20-9-15(4)19(13-24-20)18-10-16-7-6-8-25(14(2)3)21(16)11-17(18)12-23/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 347.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-6-propanoyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 157348012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).