(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C16H16ClFN2O2 — CID 110311477

IUPAC(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2nc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C16H16ClFN2O2/c17-15-13(6-11-3-4-12(18)7-14(11)19-15)16(22)20-5-1-2-10(8-20)9-21/h3-4,6-7,10,21H,1-2,5,8-9H2
InChIKeyFXJPGYYGBCJCKF-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.87
Rot. Bonds2

About (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110311477) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110311477
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2nc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C16H16ClFN2O2/c17-15-13(6-11-3-4-12(18)7-14(11)19-15)16(22)20-5-1-2-10(8-20)9-21/h3-4,6-7,10,21H,1-2,5,8-9H2
InChIKeyFXJPGYYGBCJCKF-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
N-[[(3R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51942305
ethyl 4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazine-1-carboxylate
CID 110299144
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110308220
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 113347117
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110311477) is (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc2ccc(F)cc2nc1Cl)N1CCCC(CO)C1.
What is the InChIKey of (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is FXJPGYYGBCJCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-15-13(6-11-3-4-12(18)7-14(11)19-15)16(22)20-5-1-2-10(8-20)9-21/h3-4,6-7,10,21H,1-2,5,8-9H2.
What are the key properties of (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 322.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110311477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).