1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one

C15H20ClNO2 — CID 110636328

IUPAC1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNO2/c1-3-10(4-2)15(19)17-8-7-14(18)12-9-11(16)5-6-13(12)17/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3
InChIKeyAAPZWIUEHQDTPN-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.55
Rot. Bonds3

About 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one

1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one (PubChem CID 110636328) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
PubChem CID110636328
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C15H20ClNO2/c1-3-10(4-2)15(19)17-8-7-14(18)12-9-11(16)5-6-13(12)17/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3
InChIKeyAAPZWIUEHQDTPN-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one?
The IUPAC name of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one (CID 110636328) is 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one?
The InChIKey is AAPZWIUEHQDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-10(4-2)15(19)17-8-7-14(18)12-9-11(16)5-6-13(12)17/h5-6,9-10,14,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one?
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 110636328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).