4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile

C24H23N3 — CID 143888657

IUPAC4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile
SMILESC=C1CCc2cc(-c3cccnc3)cc(CC3(C)C=CC(C#N)=CC3)c2N1
InChIInChI=1S/C24H23N3/c1-17-5-6-19-12-21(20-4-3-11-26-16-20)13-22(23(19)27-17)14-24(2)9-7-18(15-25)8-10-24/h3-4,7-9,11-13,16,27H,1,5-6,10,14H2,2H3
InChIKeyKGIBKTTVXDYXHQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.58
Rot. Bonds3

About 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile

4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile (PubChem CID 143888657) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile
PubChem CID143888657
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile
SMILESC=C1CCc2cc(-c3cccnc3)cc(CC3(C)C=CC(C#N)=CC3)c2N1
InChIInChI=1S/C24H23N3/c1-17-5-6-19-12-21(20-4-3-11-26-16-20)13-22(23(19)27-17)14-24(2)9-7-18(15-25)8-10-24/h3-4,7-9,11-13,16,27H,1,5-6,10,14H2,2H3
InChIKeyKGIBKTTVXDYXHQ-UHFFFAOYSA-N
XLogP5.58
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile (CID 143888657) is 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile is C=C1CCc2cc(-c3cccnc3)cc(CC3(C)C=CC(C#N)=CC3)c2N1.
What is the InChIKey of 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is KGIBKTTVXDYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-17-5-6-19-12-21(20-4-3-11-26-16-20)13-22(23(19)27-17)14-24(2)9-7-18(15-25)8-10-24/h3-4,7-9,11-13,16,27H,1,5-6,10,14H2,2H3.
What are the key properties of 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile?
4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 353.47 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-methylidene-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-8-yl)methyl]cyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 143888657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).