(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C22H21ClFNO — CID 89256579

IUPAC(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCCc1cc2cc(C(O)C3CCc4cc(F)ccc4C3)ccc2nc1Cl
InChIInChI=1S/C22H21ClFNO/c1-2-13-9-18-11-17(6-8-20(18)25-22(13)23)21(26)16-4-3-15-12-19(24)7-5-14(15)10-16/h5-9,11-12,16,21,26H,2-4,10H2,1H3
InChIKeyDECISTWRVGXHQT-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.43
Rot. Bonds3

About (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol

(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 89256579) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID89256579
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC Name(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCCc1cc2cc(C(O)C3CCc4cc(F)ccc4C3)ccc2nc1Cl
InChIInChI=1S/C22H21ClFNO/c1-2-13-9-18-11-17(6-8-20(18)25-22(13)23)21(26)16-4-3-15-12-19(24)7-5-14(15)10-16/h5-9,11-12,16,21,26H,2-4,10H2,1H3
InChIKeyDECISTWRVGXHQT-UHFFFAOYSA-N
XLogP5.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 89256579) is (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol is CCc1cc2cc(C(O)C3CCc4cc(F)ccc4C3)ccc2nc1Cl.
What is the InChIKey of (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is DECISTWRVGXHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO/c1-2-13-9-18-11-17(6-8-20(18)25-22(13)23)21(26)16-4-3-15-12-19(24)7-5-14(15)10-16/h5-9,11-12,16,21,26H,2-4,10H2,1H3.
What are the key properties of (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
(2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 369.87 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-ethylquinolin-6-yl)-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 89256579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).