3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone

C23H19NO2 — CID 690853

IUPAC3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H19NO2/c25-23(24-15-7-9-16-8-1-4-12-19(16)24)22-17-10-2-5-13-20(17)26-21-14-6-3-11-18(21)22/h1-6,8,10-14,22H,7,9,15H2
InChIKeySLUVVHJNUKHHRK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.90
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone

3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone (PubChem CID 690853) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone
PubChem CID690853
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H19NO2/c25-23(24-15-7-9-16-8-1-4-12-19(16)24)22-17-10-2-5-13-20(17)26-21-14-6-3-11-18(21)22/h1-6,8,10-14,22H,7,9,15H2
InChIKeySLUVVHJNUKHHRK-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone (CID 690853) is 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone?
The InChIKey is SLUVVHJNUKHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23(24-15-7-9-16-8-1-4-12-19(16)24)22-17-10-2-5-13-20(17)26-21-14-6-3-11-18(21)22/h1-6,8,10-14,22H,7,9,15H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl(9H-xanthen-9-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 4.90, 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-quinolin-1-yl(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 690853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).