3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone

C19H19NO2 — CID 110649686

IUPAC3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCOc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C19H19NO2/c21-19(16-11-13-22-18-10-4-2-8-15(16)18)20-12-5-7-14-6-1-3-9-17(14)20/h1-4,6,8-10,16H,5,7,11-13H2
InChIKeyHTBLTSLFJZVRFC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.53
Rot. Bonds1

About 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone

3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110649686) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110649686
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCOc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C19H19NO2/c21-19(16-11-13-22-18-10-4-2-8-15(16)18)20-12-5-7-14-6-1-3-9-17(14)20/h1-4,6,8-10,16H,5,7,11-13H2
InChIKeyHTBLTSLFJZVRFC-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110866329
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
2-[4-(3,4-dihydro-2H-chromene-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122136948
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
CID 134242940

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110649686) is 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CCOc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HTBLTSLFJZVRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(16-11-13-22-18-10-4-2-8-15(16)18)20-12-5-7-14-6-1-3-9-17(14)20/h1-4,6,8-10,16H,5,7,11-13H2.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone?
3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110649686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).