(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone

C16H19NO2 — CID 68648934

IUPAC(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC2CCC(O)C=C21
InChIInChI=1S/C16H19NO2/c18-14-9-8-12-7-4-10-17(15(12)11-14)16(19)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,18H,4,7-10H2
InChIKeyRVDKTGRVYZUVMG-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.58
Rot. Bonds1

About (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone

(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone (PubChem CID 68648934) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone
PubChem CID68648934
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC2CCC(O)C=C21
InChIInChI=1S/C16H19NO2/c18-14-9-8-12-7-4-10-17(15(12)11-14)16(19)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,18H,4,7-10H2
InChIKeyRVDKTGRVYZUVMG-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone?
The IUPAC name of (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone (CID 68648934) is (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone?
The canonical SMILES for (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCCC2CCC(O)C=C21.
What is the InChIKey of (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone?
The InChIKey is RVDKTGRVYZUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-14-9-8-12-7-4-10-17(15(12)11-14)16(19)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,18H,4,7-10H2.
What are the key properties of (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone?
(7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone has a molecular weight of 257.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 68648934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).