1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile

C18H16N2O2 — CID 126838178

IUPAC1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
SMILESN#Cc1cccc2c1CCCN2C(=O)c1ccoc1C1CC1
InChIInChI=1S/C18H16N2O2/c19-11-13-3-1-5-16-14(13)4-2-9-20(16)18(21)15-8-10-22-17(15)12-6-7-12/h1,3,5,8,10,12H,2,4,6-7,9H2
InChIKeyRFZHZWCTIKQHPS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile

1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile (PubChem CID 126838178) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
PubChem CID126838178
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
SMILESN#Cc1cccc2c1CCCN2C(=O)c1ccoc1C1CC1
InChIInChI=1S/C18H16N2O2/c19-11-13-3-1-5-16-14(13)4-2-9-20(16)18(21)15-8-10-22-17(15)12-6-7-12/h1,3,5,8,10,12H,2,4,6-7,9H2
InChIKeyRFZHZWCTIKQHPS-UHFFFAOYSA-N
XLogP3.62
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 166409152
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
CID 119008445
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 71941545
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile?
The IUPAC name of 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile (CID 126838178) is 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile?
The canonical SMILES for 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile is N#Cc1cccc2c1CCCN2C(=O)c1ccoc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile?
The InChIKey is RFZHZWCTIKQHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-13-3-1-5-16-14(13)4-2-9-20(16)18(21)15-8-10-22-17(15)12-6-7-12/h1,3,5,8,10,12H,2,4,6-7,9H2.
What are the key properties of 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile?
1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile is sourced from PubChem (CID 126838178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).