1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile

C26H20N2O — CID 10248954

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile
SMILESN#CC1=C(c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2C1=O
InChIInChI=1S/C26H20N2O/c27-16-23-25(21-8-2-3-9-22(21)26(23)29)20-13-11-18(12-14-20)17-28-15-5-7-19-6-1-4-10-24(19)28/h1-4,6,8-14H,5,7,15,17H2
InChIKeyVHKRAWQADBKHBC-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.16
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile

1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile (PubChem CID 10248954) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile
PubChem CID10248954
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile
SMILESN#CC1=C(c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2C1=O
InChIInChI=1S/C26H20N2O/c27-16-23-25(21-8-2-3-9-22(21)26(23)29)20-13-11-18(12-14-20)17-28-15-5-7-19-6-1-4-10-24(19)28/h1-4,6,8-14H,5,7,15,17H2
InChIKeyVHKRAWQADBKHBC-UHFFFAOYSA-N
XLogP5.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 126838243
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
CID 106787989
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
4-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43342829
5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile
CID 122478261
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-[(5-oxo-3,4-dihydro-2H-1-benzazepin-1-yl)methyl]pyridine-2-carbonitrile
CID 114336884
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 63028093

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile (CID 10248954) is 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile is N#CC1=C(c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2C1=O.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile?
The InChIKey is VHKRAWQADBKHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c27-16-23-25(21-8-2-3-9-22(21)26(23)29)20-13-11-18(12-14-20)17-28-15-5-7-19-6-1-4-10-24(19)28/h1-4,6,8-14H,5,7,15,17H2.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile?
1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile is sourced from PubChem (CID 10248954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).