2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile

C19H18N2O2 — CID 46298433

IUPAC2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCC(C)c1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C19H18N2O2/c1-12(2)13-6-8-15(9-7-13)21-17-4-3-5-18(22)16(17)10-14(11-20)19(21)23/h6-10,12H,3-5H2,1-2H3
InChIKeyDWHVAMLHCMQEFQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds2

About 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile

2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 46298433) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID46298433
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESCC(C)c1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C19H18N2O2/c1-12(2)13-6-8-15(9-7-13)21-17-4-3-5-18(22)16(17)10-14(11-20)19(21)23/h6-10,12H,3-5H2,1-2H3
InChIKeyDWHVAMLHCMQEFQ-UHFFFAOYSA-N
XLogP3.35
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 46298433) is 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile is CC(C)c1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CCC3)cc1.
What is the InChIKey of 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is DWHVAMLHCMQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)13-6-8-15(9-7-13)21-17-4-3-5-18(22)16(17)10-14(11-20)19(21)23/h6-10,12H,3-5H2,1-2H3.
What are the key properties of 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 46298433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).